SCHEMBL14641995

SCHEMBL14641995

CCC(C)(C)c1ccc2sc(C(C)(C)C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.40
F2RL3 Q96RI0 1/20 0.38
TRPV1 Q8NER1 7/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
DYRK1A Q13627 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL13896680 0.92 F2RL3 (0.41) CASRF2RL3TRPV1NPC1LMNA
SCHEMBL14437605 0.88 CASR (0.40) CASRF2RL3NPC1LMNAMAPK1
SCHEMBL2705399 0.85 CASR (0.44) CASRTRPV1DYRK1AHDAC3HDAC1
SCHEMBL19987536 0.83 HSD17B10 (0.51) F2RL3TRPV1NPC1LMNAMAPK1
SCHEMBL20049733 0.81 RAB9A (0.46) F2RL3NPC1LMNAMAPK1RAB9A
SCHEMBL21652240 0.81 DYRK1A (0.54) CASRTRPV1DYRK1AILK
SCHEMBL14642164 0.79 CASR (0.41) CASRF2RL3NPC1LMNAMAPK1
SCHEMBL14437958 0.78 NPC1 (0.45) CASRTRPV1NPC1MAPK1RAB9A
SCHEMBL21652203 0.77 CASR (0.38) CASRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL13536945 0.76 TNF (0.49) NPC1RAB9ATNFNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1384747-B1 PROCESS FOR PRODUCING COMPOSITE FROM SOLUTION OF RIGID POLYMER AND COMPOSITE FILM TOYO BOSEKI (JP) 2013-01-16 EP disclosed