SCHEMBL6662600

SCHEMBL6662600

CC=CC(=O)Oc1ccc(-c2ccc(CC)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
CA2 P00918 1/20 0.38
APP P05067 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B2 P37059 2/20 0.35
HSD17B1 P14061 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NR4A2 P43354 1/20 0.34
GRIN2B Q13224 2/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL6662590 1.00 POLB (0.39) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6664356 0.99 POLB (0.38) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6664361 0.99 POLB (0.38) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6658675 0.89 THRB (0.40) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6658677 0.89 THRB (0.40) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6663602 0.88 THRB (0.40) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6663605 0.88 THRB (0.40) POLBCA2APPKDM4ESMN1; SMN2
SCHEMBL6662723 0.88 POLB (0.38) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6662716 0.88 POLB (0.38) POLBAPPKDM4ESMN1; SMN2NPC1
SCHEMBL6658909 0.87 APP (0.48) CA2APPKDM4ESMN1; SMN2NPC1

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-1165721-B1 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LTD (GB) 2004-08-04 EP disclosed
US-6696110-B1 THERMOGRAPHY QINETIQ LIMITED (GB) 2004-02-24 US disclosed