SCHEMBL11221046

SCHEMBL11221046

C=CCN1C(=O)N(CC=C)C(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 4/20 0.38
CNR1 P21554 3/20 0.37
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.31
LMNA P02545 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
SCHEMBL11367455 0.91 GAA (0.40) GAATSHRPOLBCNR1CYP3A4
SCHEMBL11367271 0.91 GAA (0.43) GAATSHRPOLBCNR1CYP3A4
SCHEMBL11368719 0.83 GAA (0.39) GAATSHRPOLBCNR1MAPT
SCHEMBL11372927 0.83 GAA (0.45) GAATSHRPOLBCNR1MAPT
SCHEMBL4841706 0.82 GAA (0.45) GAATSHRPOLBCNR1CYP3A4
SCHEMBL11365777 0.80 GAA (0.37) GAATSHRPOLBCNR1CYP3A4
SCHEMBL11669066 0.80 GAA (0.36) GAATSHRPOLBCYP3A4MAPT
SCHEMBL16594895 0.79 GAA (0.43) GAATSHRPOLBCNR1CYP3A4
SCHEMBL11373262 0.79 GAA (0.36) GAATSHRPOLBCNR1CYP3A4
SCHEMBL11372133 0.78 RAB9A (0.35) GAATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167465-A Unsaturated hydantoin coagents CIBA-GEIGY CORPORATION (US) 1979-09-11 US claimed
US-4091223-A CROSSLINKERS FOR PVC, POLYETHYLENE, VINYL ACETATE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1978-05-23 US claimed
JP-57158255-A None JP disclosed
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
JP-S57158255-A THERMOSETTING RESIN COMPOSITION HITACHI LTD 1982-09-30 JP disclosed
US-4258149-A AND AN ORGANIC PEROXIDE CATALYST OR RADIATION CIBA-GEIGY CORPORATION (US) 1981-03-24 US disclosed
US-4167465-A Unsaturated hydantoin coagents CIBA-GEIGY CORPORATION (US) 1979-09-11 US disclosed
US-4091223-A CROSSLINKERS FOR PVC, POLYETHYLENE, VINYL ACETATE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1978-05-23 US disclosed