SCHEMBL28125451

SCHEMBL28125451

Cc1ccccc1C(=O)OOC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.50
▸ ADRB1 P08588 2/20 0.50
▸ ADRB3 P13945 2/20 0.50
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ PLK1 P53350 2/20 0.43
▸ PLK2 Q9NYY3 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL127127 0.84 NPC1 (0.53) ADRB2ADRB1ADRB3KMT2AMAPT
SCHEMBL28242882 0.84 NPC1 (0.44) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL28470418 0.81 TSHR (0.46) KMT2AALDH1A1TSHRNPC1HPGD
SCHEMBL277670 0.81 NPC1 (0.56) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL29133448 0.81 NPC1 (0.42) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL15972632 0.79 ALDH1A1 (0.47) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL5510171 0.79 TSHR (0.50) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL7635471 0.77 ADRB2 (0.43) ADRB2ADRB1ADRB3KMT2AALDH1A1
SCHEMBL5405959 0.77 SCN1A (0.52) KMT2AALDH1A1TSHRNPC1SMN1; SMN2
SCHEMBL7625211 0.77 ADRB2 (0.43) ADRB2ADRB1ADRB3KMT2AALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106810292-A A kind of waterproof type energy-saving wall heat insulation material and preparation method thereof 苏州顶裕节能设备有限公司 2017-06-09 — — CN claimed
CN-106633986-B A kind of wood powder craftwork and preparation method thereof 华琳琳 2019-07-02 — — CN disclosed
CN-106633232-B A kind of craftwork and preparation method thereof 张掖市丹霞风韵旅游文化开发有限公司 2018-11-16 — — CN disclosed
CN-108276307-A The synthetic method of 3- cyano -4- oxyl benzoic ethers 常熟浸大科技有限公司 2018-07-13 — — CN disclosed
CN-104829756-B A kind of solid catalyst component for olefine polymerization and its preparation method and application 中国科学院化学研究所 2018-05-15 — — CN disclosed
CN-106810292-A A kind of waterproof type energy-saving wall heat insulation material and preparation method thereof 苏州顶裕节能设备有限公司 2017-06-09 — — CN disclosed
CN-106810292-A A kind of waterproof type energy-saving wall heat insulation material and preparation method thereof 苏州顶裕节能设备有限公司 2017-06-09 — — CN disclosed
CN-106752824-A A kind of transport vehicle inwall anticorrosive and preparation method thereof 天津爱蔻科技股份有限公司 2017-05-31 — — CN disclosed
CN-106752712-A A kind of chemical material transport vehicle inwall anticorrosive 天津爱蔻科技股份有限公司 2017-05-31 — — CN disclosed
CN-106633986-A Wood powder artwork and preparation method thereof 天津威尔福科技有限公司 2017-05-10 — — CN disclosed
CN-106633232-A Artware and preparation method thereof 天津威尔福科技有限公司 2017-05-10 — — CN disclosed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 — — CN disclosed
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