SCHEMBL7716670

SCHEMBL7716670

CC(C#N)c1ccc(CBr)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.36
ESR1 P03372 8/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP2A6 P11509 1/20 0.30
PYCR1 P32322 1/20 0.30

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
SCHEMBL6565095 0.82 ESR1 (0.43) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL955062 0.81 CYP2A6 (0.50) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL9883181 0.79 ESR1 (0.40) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL27537686 0.79 LOXL2 (0.48) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL1021704 0.79 PTGS1 (0.48) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL9117448 0.79 PTGS1 (0.48) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL29108004 0.79 ESR2 (0.36) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL7716790 0.77 ESR2 (0.43) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL7710948 0.77 CYP1A1 (0.36) ESR2ESR1ALDH1A1CYP1A2MEN1
SCHEMBL7717092 0.76 ESR2 (0.46) ESR2ESR1ALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554054-A Method for synthesizing ketoprofen intermediate and loxoprofen intermediate 湖北荆洪生物科技股份有限公司 2023-08-08 CN claimed
CN-116554054-B Method for synthesizing ketoprofen intermediate and loxoprofen intermediate 湖北荆洪生物科技股份有限公司 2024-12-20 CN disclosed
CN-116554054-B Method for synthesizing ketoprofen intermediate and loxoprofen intermediate 湖北荆洪生物科技股份有限公司 2024-12-20 CN disclosed
CN-117069574-A Preparation method of loxoprofen acid 常州瑞明药业有限公司 2023-11-17 CN disclosed
CN-116554054-A Method for synthesizing ketoprofen intermediate and loxoprofen intermediate 湖北荆洪生物科技股份有限公司 2023-08-08 CN disclosed
CN-116554054-A Method for synthesizing ketoprofen intermediate and loxoprofen intermediate 湖北荆洪生物科技股份有限公司 2023-08-08 CN disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed