SCHEMBL6963017

SCHEMBL6963017

[O]C(=O)C=CCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.54
TRPV1 Q8NER1 1/20 0.54
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL6973240 0.95 TRPV1 (0.60) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL6971328 0.89 GPR52 (0.68) GPR52
SCHEMBL5847965 0.87 GPR52 (0.56) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL5847973 0.87 GPR52 (0.56) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL9113431 0.84 GPR52 (0.53) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL9113422 0.84 GPR52 (0.53) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL9113427 0.84 GPR52 (0.53) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL1150822 0.81 TRPV1 (0.61) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL1009881 0.81 TRPV1 (0.61) GPR52TRPV1HDAC3HDAC4HDAC1
SCHEMBL597782 0.80 TRPV1 (0.64) GPR52TRPV1HDAC3HDAC4HDAC1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed