SCHEMBL8413847

SCHEMBL8413847

C=C(C)COC(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11144029 0.79 MCL1 (0.35) MCL1ALDH1A1TSHR
SCHEMBL13227318 0.78 ALDH1A1 (0.36) MCL1ALDH1A1TSHR
SCHEMBL6829993 0.77 MGAM (0.48) ALDH1A1TSHRTDP1
SCHEMBL2200440 0.76 THRB (0.52) MCL1ALDH1A1TSHRTDP1
Methacrylic Acid SCHEMBL25222085 0.76 MGAM (0.45) MCL1ALDH1A1TSHRCYP1A2
SCHEMBL27496508 0.76 MCL1 (0.46) MCL1ALDH1A1TSHR
SCHEMBL8859404 0.76
SCHEMBL10835475 0.76 MCL1 (0.43) MCL1ALDH1A1TSHRCYP1A2
SCHEMBL5507711 0.75 MCL1 (0.34) MCL1
SCHEMBL19791941 0.75 MCL1 (0.33) MCL1ALDH1A1TSHR

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-4154914-A Process for producing acrylic rubber by copolymerizing acrylic ester and malonic acid derivative having active methylene group TOYO SEAL KOGYO KABUSHIKI KAISHA (TOYO SEAL INDUSTRIES CO., LTD.) (JP) 1979-05-15 US claimed
US-5961962-A SUNSCREENS SOCIETE L'OREAL S.A. (FR) 1999-10-05 US disclosed
US-5827509-A Photoprotective/cosmetic compositions comprising cinnamonitrile-substituted polyorganosiloxanes/polyorganosilanes SOCIETE L'OREAL S.A. (FR) 1998-10-27 US disclosed
US-5548032-A REACTION PRODUCT OF FORMALDEHYDE WITH (THIO)UREA TOYO SEAL KOGYO KABUSHIKI KAISHA (JP) 1996-08-20 US disclosed
US-4154914-A Process for producing acrylic rubber by copolymerizing acrylic ester and malonic acid derivative having active methylene group TOYO SEAL KOGYO KABUSHIKI KAISHA (TOYO SEAL INDUSTRIES CO., LTD.) (JP) 1979-05-15 US disclosed