Sugi Predict

Sugi Predict / Compounds / SCHEMBL27420149

SCHEMBL27420149

SCHEMBL27420149

CC(CBr)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 3/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KCNN4 O15554 1/20 0.39

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
SCHEMBL15116240 0.84 CYP2C19 (0.46) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL17710582 0.82 L3MBTL1 (0.50) HIF1AMAPTALDH1A1KIF11CYP3A4
SCHEMBL28839903 0.81 KCNN4 (0.56) CYP2C19HIF1AMAPTKMT2AHDAC3
SCHEMBL1492728 0.81 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL6758034 0.81 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL23453194 0.79 TAAR1 (0.54) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL3719792 0.79 CYP2C19 (0.64) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL22341259 0.79 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL22341285 0.79 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL1450491 0.79 TAAR1 (0.54) CYP2C19HIF1AMAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112473593-A Automatic production line of 2-4 bromomethyl phenyl propionic acid 贵州天豪民族药业有限公司 2021-03-12 — — CN claimed
CN-109809962-A A kind of new synthetic method of 2- (4- bromomethyl) phenylpropionic acid 盘锦格林凯默科技有限公司 2019-05-28 — — CN claimed
CN-109809987-A A kind of new synthetic method of loxoprofen sodium 盘锦格林凯默科技有限公司 2019-05-28 — — CN claimed
CN-107501077-A A kind of preparation method of 2 (4 bromomethyl) phenylpropionic acids 杭州乐敦科技有限公司 2017-12-22 — — CN claimed
CN-116354814-A Processing technology for improving purity of p-bromomethylphenyl propionic acid 贵州天豪民族药业有限公司 2023-06-30 — — CN disclosed
CN-112473593-A Automatic production line of 2-4 bromomethyl phenyl propionic acid 贵州天豪民族药业有限公司 2021-03-12 — — CN disclosed
CN-112473593-A Automatic production line of 2-4 bromomethyl phenyl propionic acid 贵州天豪民族药业有限公司 2021-03-12 — — CN disclosed
CN-112473593-A Automatic production line of 2-4 bromomethyl phenyl propionic acid 贵州天豪民族药业有限公司 2021-03-12 — — CN disclosed
CN-111454145-A Preparation method of p-bromomethyl isophenylpropionic acid 张明 2020-07-28 — — CN disclosed
CN-109809962-A A kind of new synthetic method of 2- (4- bromomethyl) phenylpropionic acid 盘锦格林凯默科技有限公司 2019-05-28 — — CN disclosed
CN-109809962-A A kind of new synthetic method of 2- (4- bromomethyl) phenylpropionic acid 盘锦格林凯默科技有限公司 2019-05-28 — — CN disclosed
CN-109809987-A A kind of new synthetic method of loxoprofen sodium 盘锦格林凯默科技有限公司 2019-05-28 — — CN disclosed
CN-109809987-A A kind of new synthetic method of loxoprofen sodium 盘锦格林凯默科技有限公司 2019-05-28 — — CN disclosed
CN-107501077-A A kind of preparation method of 2 (4 bromomethyl) phenylpropionic acids 杭州乐敦科技有限公司 2017-12-22 — — CN disclosed
CN-1101802-C Process for preparing loxoprofen sodium UNIV FUDAN (CN) 2003-02-19 — — CN disclosed