SCHEMBL7274546

SCHEMBL7274546

NCC1Cc2ccc(CC(=O)O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RGS12 O14924 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
GNAI1 P63096 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKR1B1 P15121 3/20 0.43
CA2 P00918 2/20 0.40

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
SCHEMBL11533272 0.84 TBXA2R (0.46) TBXA2RKDM4EMAPTHPGDHSD17B10
SCHEMBL9472297 0.83 CA2 (0.47) TBXA2RKDM4EMAPTHPGDHSD17B10
Methane SCHEMBL11528997 0.83 TBXA2R (0.45) TBXA2RKDM4EMAPTHPGDHSD17B10
Methyl Alcohol SCHEMBL11526388 0.83 TBXA2R (0.45) TBXA2RKDM4EMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL8879980 0.82 CA2 (0.46) TBXA2RKDM4EMAPTHPGDHSD17B10
SCHEMBL11530910 0.80 KDM4E (0.46) TBXA2RKDM4EMAPTHPGDHSD17B10
SCHEMBL11529012 0.76 KDM4E (0.42) TBXA2RKDM4EMAPTHPGDHSD17B10
SCHEMBL11575568 0.76 SRD5A2 (0.46) TBXA2RAKR1B1
Hydrochloric Acid SCHEMBL8880333 0.75 ALDH1A1 (0.47) TBXA2RKDM4EMAPTHPGDHSD17B10
Methyl Alcohol SCHEMBL10890406 0.75 KDM4E (0.41) TBXA2RKDM4EMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed