SCHEMBL13422804

SCHEMBL13422804

COc1cc(F)ccc1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.49
SYK P43405 1/20 0.48
KCNH2 Q12809 6/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ACHE P22303 1/20 0.43
CYP2D6 P10635 1/20 0.42
GRIN2B Q13224 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
FFAR1 O14842 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41

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
SCHEMBL7875700 0.85 ERN1 (0.50) FFAR4SYKHTTSMN1; SMN2ACHE
SCHEMBL10137021 0.84 ACHE (0.58) SMN1; SMN2ALDH1A1HPGDACHECYP2D6
SCHEMBL11690934 0.84 SYK (0.47) FFAR4SYKKCNH2ALDH1A1CYP2D6
SCHEMBL11689848 0.84 ESR2 (0.56) SYKKCNH2CYP2D6PDGFRBPDGFRA
SCHEMBL6609680 0.83 KCNH2 (0.53) SYKKCNH2CYP2D6CYP1A1CYP1B1
SCHEMBL696471 0.81 KCNH2 (0.45) SYKKCNH2CYP2D6GRIN2BCYP1A1
SCHEMBL11425087 0.80 CYP11B1 (0.55) SYKKCNH2CYP2D6GRIN2B
SCHEMBL31227831 0.80 DRD1 (0.49) SYKKCNH2ALDH1A1HPGDESR1
SCHEMBL1047261 0.79 CYP1A1 (0.65) SYKSMN1; SMN2ALDH1A1ACHECYP2D6
SCHEMBL29788333 0.78 CCNT1 (0.55) FFAR4KCNH2HTTPDGFRBPDGFRA

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
WO-2010043721-A1 OXIDASE INHIBITORS AND THEIR USE ORYZON GENOMICS, S.A. (ES) 2010-04-22 WO disclosed