SCHEMBL7840499

SCHEMBL7840499

CCCCCOc1cccc([Mg]Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
LTA4H P09960 2/20 0.49
SMPD1 P17405 3/20 0.48
KMT2A Q03164 2/20 0.48
PLA2G4B P0C869 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
GGPS1 O95749 2/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL7848088 0.98 TSHR (0.59) TSHRLTA4HSMPD1KMT2APLA2G4B
SCHEMBL7848627 0.95 TSHR (0.50) TSHRLTA4HSMPD1KMT2APLA2G4B
SCHEMBL7848585 0.90 KMT2A (0.50) TSHRLTA4HKMT2AGPBAR1NR1H4
SCHEMBL3444130 0.83 ALDH1A1 (0.53) KMT2ATHRATHRB
SCHEMBL6545404 0.82 TP53 (0.53) TSHRLTA4HKMT2ATHRB
SCHEMBL11663051 0.82 TSHR (0.72) TSHRLTA4HSMPD1KMT2APLA2G4B
SCHEMBL6677146 0.80 TSHR (0.76) TSHRLTA4HSMPD1PLA2G4BGPBAR1
SCHEMBL4208924 0.80 TSHR (0.76) TSHRLTA4HSMPD1PLA2G4BGPBAR1
SCHEMBL17138169 0.80 TSHR (0.76) TSHRLTA4HSMPD1PLA2G4BGPBAR1
SCHEMBL3905859 0.80 TSHR (0.76) TSHRLTA4HSMPD1PLA2G4BGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed