SCHEMBL9305883

SCHEMBL9305883

C=C(C)Oc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
F2 P00734 1/20 0.48
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL103902 0.91 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL8496209 0.88 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL29038955 0.88 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL11125066 0.87 MAPT (0.55) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL24968440 0.87 MAPT (0.47) ALDH1A1MAPTF2PARP15PARP10
SCHEMBL712644 0.84 ELANE (0.50) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL10015744 0.84 ELANE (0.50) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL11709820 0.84 PRSS1 (0.62) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL12362581 0.84 CYP1A2 (0.58) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL8074037 0.84 CYP1A2 (0.58) ALDH1A1MAPTCYP1A2CYP2D6HIF1A

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-5359439-A Optical elements based on liquid-crystalline substances with no birefringence in a non-perpendicular direction and a process for their preparation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-10-25 US disclosed