SCHEMBL8913414

SCHEMBL8913414

CCCCc1ccc(C#Cc2ccc(C(=O)Oc3ccc(F)c(F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
PRSS1 P07477 2/20 0.41
ACR P10323 2/20 0.41
THRB P10828 3/20 0.41
THRA P10827 1/20 0.41
ACACB O00763 1/20 0.40
RARB P10826 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLK1 P53350 1/20 0.40
MDH1 P40925 1/20 0.40

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
SCHEMBL8904961 0.97 MAPT (0.46) MAOAMAOBMAPTSMN1; SMN2KMT2A
SCHEMBL8903862 0.93 MAPT (0.46) MAOAMAOBMAPTSMN1; SMN2KMT2A
SCHEMBL8903150 0.89 MAOB (0.48) MAOAMAOBMAPTSMN1; SMN2KMT2A
SCHEMBL15248785 0.88 PRSS1 (0.42) MAOAMAOBMAPTSMN1; SMN2KMT2A
SCHEMBL9332476 0.87 FFAR1 (0.40) MAPTSMN1; SMN2KMT2APRSS1ACR
SCHEMBL9335713 0.86 FFAR1 (0.39) MAPTSMN1; SMN2KMT2APRSS1ACR
SCHEMBL9332703 0.85 FFAR1 (0.41) MAPTSMN1; SMN2KMT2APRSS1ACR
SCHEMBL14887050 0.84 MAPT (0.48) MAPTSMN1; SMN2KMT2APRSS1ACR
SCHEMBL9333512 0.84 PRSS1 (0.43) MAPTSMN1; SMN2KMT2APRSS1ACR
SCHEMBL16603415 0.84 MAOA (0.46) MAOAMAOBMAPTSMN1; SMN2KMT2A

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-5656198-A DISPLAY DEVICE CITIZEN WATCH CO., LTD. (JP) 1997-08-12 US disclosed