SCHEMBL8327306

SCHEMBL8327306

COC(=O)c1ccc(CCc2cc(SC)ccc2OCc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
MTNR1B P49286 2/20 0.43
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MTNR1A P48039 3/20 0.42
PTGER1 P34995 2/20 0.42
PPIA P62937 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 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
SCHEMBL8675115 0.91 GCK (0.63) GCKSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL8405916 0.87 SMN1; SMN2 (0.53) GCKSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL8324992 0.86 CCR5 (0.48) SMN1; SMN2RAB9AHTTHPGDLMNA
SCHEMBL8325607 0.85 PTGER1 (0.52) RAB9AMAPTHPGDLMNAPTGER1
SCHEMBL8326786 0.83 PTGER1 (0.42) SMN1; SMN2RAB9AMAPTNPC1HPGD
SCHEMBL8321962 0.83 PTGER1 (0.56) GCKSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL8323253 0.79 PTGER4 (0.59) RAB9AMAPTHPGDLMNAMTNR1B
SCHEMBL8409245 0.79 PTGER1 (0.58) GCKSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL8409906 0.78 CCR6 (0.44) RAB9AKDM4ELMNASMPD1HDAC1
SCHEMBL8408175 0.77 HPGD (0.56) SMN1; SMN2RAB9AMAPTNPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed