SCHEMBL8915970

SCHEMBL8915970

C=CCCCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
THRB P10828 2/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8914817 0.96 F2 (0.46) F2THRBALDH1A1L3MBTL1CYP1A2
SCHEMBL8913334 0.91 F2 (0.48) F2THRBALDH1A1L3MBTL1CYP1A2
SCHEMBL16848610 0.88 F2 (0.52) F2THRBALDH1A1CYP1A2CYP2D6
SCHEMBL16848602 0.88 F2 (0.52) F2THRBALDH1A1CYP1A2CYP2D6
SCHEMBL16848604 0.88 F2 (0.52) F2THRBALDH1A1CYP1A2CYP2D6
SCHEMBL8912462 0.88 ALDH1A1 (0.55) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL18763586 0.86 ALDH1A1 (0.59) F2ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL19372701 0.84 F2 (0.51) F2ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL4652053 0.84 TSHR (0.57) F2THRBALDH1A1CYP1A2CYP2D6
SCHEMBL9853910 0.84 TSHR (0.57) F2THRBALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed