SCHEMBL11367698

SCHEMBL11367698

C=CCN1C(=O)N(CC=C)C(C)(c2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
CASP3 P42574 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR1A P08908 1/20 0.37
HTR6 P50406 1/20 0.37
CNR1 P21554 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL19923474 0.75 BACE1 (0.45) GAATSHRLMNAPOLBALDH1A1
SCHEMBL11221046 0.74 GAA (0.44) GAATSHRLMNACASP3POLB
SCHEMBL19923680 0.73 ELANE (0.56) LMNAALDH1A1HTR1AHTR6MEN1
SCHEMBL18106819 0.73 GAA (0.50) GAATSHRLMNACASP3CYP1A2
SCHEMBL11790326 0.72 HTR1A (0.43) GAATSHRLMNAPOLBALDH1A1
SCHEMBL26948730 0.72 ALDH1A1 (0.57) GAATSHRLMNACYP2C9POLB
SCHEMBL11365777 0.70 GAA (0.37) GAATSHRCASP3POLBALDH1A1
SCHEMBL18106832 0.70 GAA (0.47) GAATSHRLMNACASP3CYP2C9
SCHEMBL11372927 0.70 GAA (0.45) GAATSHRLMNACASP3CYP1A2
SCHEMBL11795906 0.70 HTR1A (0.41) LMNAPOLBALDH1A1HTR1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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