SCHEMBL9716997

SCHEMBL9716997

CC=CC=CC(C=CC#N)=Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
AKR1C3 P42330 1/20 0.33
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPP2 Q13822 1/20 0.30
FBP1 P09467 1/20 0.30
PLIN1 O60240 1/20 0.30
LMNA P02545 1/20 0.30
PLIN5 Q00G26 1/20 0.30
ABHD5 Q8WTS1 1/20 0.30

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
SCHEMBL6061065 0.87 MCL1 (0.43) ALDH1A1TSHRMCL1RAB9ANPC1
SCHEMBL258376 0.83 MCL1 (0.36) ALDH1A1TSHRMCL1RAB9ANPC1
SCHEMBL5010379 0.83 MCL1 (0.36) ALDH1A1TSHRMCL1RAB9ANPC1
SCHEMBL2710001 0.80 MAPT (0.42) ALDH1A1MCL1MAPTSMN1; SMN2RECQL
SCHEMBL7557505 0.80 GLA (0.44) ALDH1A1TSHRNPC1MAPTSMN1; SMN2
SCHEMBL307061 0.78 HCAR2 (0.44) ALDH1A1TSHRMCL1RAB9ANPC1
SCHEMBL9960390 0.77 MCL1 (0.39) ALDH1A1TSHRMCL1RAB9ANPC1
Methacrylic Acid SCHEMBL7938321 0.76 AKR1C3 (0.40) ALDH1A1TSHRMCL1RAB9ANPC1
SCHEMBL2880601 0.76 MAOB (0.38) ALDH1A1MCL1NPC1MAPTSMN1; SMN2
SCHEMBL25452975 0.76 MCL1 (0.41) ALDH1A1TSHRMCL1RAB9ANPC1

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-5166271-A N-substituted maleimide with vinyl chloride graft polymerized MITSUI TOATSU CHEMICALS, INC. (JP) 1992-11-24 US disclosed