SCHEMBL246475

SCHEMBL246475

O=C(O)C(F)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
CPA1 P15085 5/20 0.53
CPA3 P15088 3/20 0.53
FOLH1 Q04609 1/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
SRR Q9GZT4 2/20 0.52
SLC1A3 P43003 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MDM2 Q00987 1/20 0.50
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL38660546 0.98 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL8337664 0.88 SRR (0.57) PTGS1CPA1SRRPPARGPPARA
SCHEMBL28090728 0.86 CYP1A2 (0.56) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6964952 0.84 CYP1A2 (0.54) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL14540739 0.83 SLC7A5 (0.60) SLC7A5FOLH1
SCHEMBL7810193 0.83 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL5306700 0.83 SLC7A5 (0.60) SLC7A5FOLH1
SCHEMBL29020043 0.83 EPHX1 (0.58) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL12271851 0.83 CYP1A2 (0.57) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL14541035 0.83 SLC7A5 (0.60) SLC7A5FOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
US-12522850-B2 Fluoroacetate dehalogenase mutant and application thereof Abiochem Biotechnology (Group) Co., Ltd. (CN) 2026-01-13 US disclosed
CN-222766073-U Vacuum mixing equipment for producing fludrocortisone acetate 合肥市未来药物开发有限公司 2025-04-18 CN disclosed
CN-119031918-A Treatment of anatomic and functional retinal atrophy 眼力有限公司 2024-11-26 CN disclosed
US-20240182933-A1 FLUOROACETATE DEHALOGENASE MUTANT AND APPLICATION THEREOF ABIOCHEM BIOTECHNOLOGY CO, LTD (CN) 2024-06-06 US disclosed
CN-117110463-A Method for simultaneously detecting 34 food-derived stimulants in food 成都市食品检验研究院 2023-11-24 CN disclosed
WO-2021120134-A1 FLUOROACETATE DEHALOGENASE MUTANT AND APPLICATION THEREOF 弈柯莱生物科技(上海)股份有限公司 2021-06-24 WO disclosed
CN-110564706-A Fluoroacetic acid dehalogenase mutant and application thereof 上海弈柯莱生物医药科技有限公司 2019-12-13 CN disclosed
CN-105683200-A Fluorine-containing complex compound and method for producing fluorine-containing organic compound using same 大金工业株式会社 2016-06-15 CN disclosed
US-4033949-A Analogs of thromboxane B2 and processes for their synthesis THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 US disclosed
US-4028350-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1977-06-07 US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 US disclosed