SCHEMBL7711516

SCHEMBL7711516

CC1(c2ccccc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OTUD7B Q6GQQ9 1/20 0.33
MGAT2 Q10469 1/20 0.33
PIM1 P11309 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
BACE1 P56817 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7711504 0.90 MMP2 (0.39) MMP2MMP9ALDH1A1LMNATSHR
SCHEMBL7708734 0.84 MGAT2 (0.38) ALDH1A1GAAMGAT2MAPTKCNH2
SCHEMBL7712056 0.83 MMP2 (0.42) MMP2MMP9ALDH1A1GAAMGAT2
SCHEMBL7711524 0.83 CYP19A1 (0.39) MAPTPMP22
SCHEMBL7711508 0.83 MGAT2 (0.36) HSD17B10MGAT2
SCHEMBL7711634 0.83 KMT2A (0.37) ALDH1A1LMNAGAACASP1HSD17B10
SCHEMBL7712019 0.81 ALDH1A1 (0.38) MMP2MMP9ALDH1A1LMNATSHR
SCHEMBL7708718 0.81 OPRM1 (0.39)
SCHEMBL5856716 0.81 HCAR2 (0.40) ALDH1A1LMNATSHRGAAHPGD
SCHEMBL7711693 0.80 DDB1 (0.35) ALDH1A1LMNATSHRGAAHPGD

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-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed