SCHEMBL5481273

SCHEMBL5481273

C/C(C=CC#N)=C\c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
AKR1C3 P42330 1/20 0.44
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FBP1 P09467 1/20 0.40
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM1A O60341 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
SCHEMBL152966 1.00 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AMAPT
Butadiene SCHEMBL2729309 0.93 ALDH1A1 (0.47) ALDH1A1TSHRNPC1RAB9AMAPT
Styrene SCHEMBL8466307 0.91 ALDH1A1 (0.47) ALDH1A1TSHRNPC1RAB9AMAPT
Styrene SCHEMBL9124799 0.88 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL2339418 0.82 LMNA (0.44) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL9066552 0.82 AKR1C3 (0.47) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL6061065 0.82 MCL1 (0.43) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL29885801 0.82 MCL1 (0.43) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL11300877 0.80 ALDH1A1 (0.59) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL7006805 0.79 KDM4E (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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-20070010635-A1 Low gloss thermoplastic composition, method of making, and articles formed therefrom SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2007-01-11 US disclosed