SCHEMBL3428282

SCHEMBL3428282

COC(=O)/C(C#N)=C/c1ccc(OC)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
PKM P14618 1/20 0.64
HTT P42858 1/20 0.64
CYP1A2 P05177 1/20 0.60
MAPT P10636 7/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
ESRRA P11474 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
KDM4E B2RXH2 3/20 0.53
THRB P10828 1/20 0.53
CYP2D6 P10635 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.52
HPGD P15428 4/20 0.52
NPSR1 Q6W5P4 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3428284 1.00 ALDH1A1 (0.64) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL8359618 0.89 CYP1A2 (0.76) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL8604912 0.89 CYP1A2 (0.76) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL10241955 0.84 ALDH1A1 (0.60) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL6874677 0.83 MEN1 (0.77) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL6874673 0.83 MEN1 (0.77) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL8024612 0.83 ALDH1A1 (0.67) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL6271903 0.83 ALDH1A1 (0.67) ALDH1A1PKMHTTCYP1A2MAPT
SCHEMBL10413552 0.82 KDM4E (0.59) ALDH1A1PKMHTTMAPTKMT2A
SCHEMBL10413551 0.82 KDM4E (0.59) ALDH1A1PKMHTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648738-B2 for photopolymerization; photography, relief imaging; color filters CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-19 US disclosed
US-20060241259-A1 Oxime ester photoinitiators with heteroaromatic groups CIBA CORPORATION 2006-10-26 US disclosed