SCHEMBL4034907

SCHEMBL4034907

[NH]C(=O)Cc1ccccc1O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.68
HSPA5 P11021 1/20 0.52
TSHR P16473 3/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CA12 O43570 4/20 0.43
CA2 P00918 4/20 0.43
IDO1 P14902 2/20 0.43
CA9 Q16790 3/20 0.42
MPO P05164 1/20 0.42
KEAP1 Q14145 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 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
SCHEMBL5917372 0.82 AKR1B1 (0.61) AKR1B1TSHRKDM4EMAPTHPGD
SCHEMBL1737314 0.81 AKR1B1 (0.74) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL30451705 0.81 AKR1B1 (0.74) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL30449014 0.81 AKR1B1 (1.00) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL72309 0.81 AKR1B1 (1.00) AKR1B1HSPA5TSHRCYP2D6HIF1A
Ammonia Solution, Strong SCHEMBL10886656 0.79 AKR1B1 (0.95) AKR1B1HSPA5TSHRCYP2D6HIF1A
Potassium SCHEMBL4278025 0.79 AKR1B1 (0.95) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL4284420 0.79 AKR1B1 (0.95) AKR1B1HSPA5TSHRCYP2D6HIF1A
Hydrochloric Acid SCHEMBL8622012 0.79 AKR1B1 (0.95) AKR1B1HSPA5TSHRCYP2D6HIF1A
SCHEMBL6966215 0.79 AKR1B1 (0.71) AKR1B1HSPA5TSHRCYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-4115646-A Process for preparing 7-aminocephalosporanic acid derivatives BEECHAM GROUP LIMITED (GB) 1978-09-19 US claimed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US claimed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
EP-0222022-B1 PROCESS FOR PRODUCING BETA-LACTAM DERIVATIVES Otsuka Kagaku Kabushiki Kaisha (JP) 1992-09-23 EP disclosed
US-5070194-A DEPROTECTION OF INTERMEDIATES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-12-03 US disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed
EP-0222022-A1 PROCESS FOR PRODUCING BETA-LACTAM DERIVATIVES Otsuka Kagaku Kabushiki Kaisha (JP) 1987-05-20 EP disclosed
US-4068073-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4064242-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1977-12-20 US disclosed
US-4059591-A Ureidoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1977-11-22 US disclosed
US-4057631-A CEPHALOSPORINS, BACTERICIDE SMITHKLINE CORPORATION (US) 1977-11-08 US disclosed
US-4048311-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-09-13 US disclosed
US-4041162-A ANTIBIOTICS, BACTERICIDES SMITHKLINE CORPORATION (US) 1977-08-09 US disclosed
US-4034092-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-07-05 US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 US disclosed