SCHEMBL10669348

SCHEMBL10669348

COc1ccc(C=CC(=O)C2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.64
F3 P13726 3/20 0.58
THRB P10828 1/20 0.57
ATM Q13315 1/20 0.57
GSK3B P49841 2/20 0.55
ALDH1A1 P00352 3/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 3/20 0.52
XDH P47989 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
P4HB P07237 1/20 0.52
CALM1 P0DP23 1/20 0.52

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
SCHEMBL11393308 0.92 F3 (0.64) TRPM8F3THRBATMGSK3B
SCHEMBL11393305 0.92 F3 (0.64) TRPM8F3THRBATMGSK3B
SCHEMBL11388643 0.82 HDAC8 (0.57) TRPM8F3THRBATMGSK3B
SCHEMBL11388645 0.82 HDAC8 (0.57) TRPM8F3THRBATMGSK3B
SCHEMBL600597 0.81 HTT (0.70) TRPM8F3THRBATMGSK3B
SCHEMBL154420 0.81 HTT (0.70) TRPM8F3THRBATMGSK3B
SCHEMBL8877437 0.80 KMT2A (0.55) TRPM8ALDH1A1RAB9ANPC1MAPT
SCHEMBL8877446 0.80 KMT2A (0.55) TRPM8ALDH1A1RAB9ANPC1MAPT
SCHEMBL11147619 0.79 HSD17B3 (0.58) TRPM8HDAC3HDAC1HDAC2HDAC8
SCHEMBL18364671 0.79 HTT (0.61) TRPM8F3THRBATMGSK3B

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
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed