SCHEMBL3744646

SCHEMBL3744646

C=CCc1ccc(Oc2ccc(CC=C)cc2)cc1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP3A4 P08684 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 2/20 0.65
TSHR P16473 2/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
XDH P47989 1/20 0.48
MMP2 P08253 1/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 1/20 0.44
MAPT P10636 4/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH2 P05091 1/20 0.42
GAA P10253 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL2793675 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL9352993 0.98 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL88416 0.98 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL5606838 0.89 TSHR (0.59) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL27814857 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL9062160 0.87 ST14 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL19084220 0.87 SMN1; SMN2 (0.62) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL9501888 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL15822354 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR
SCHEMBL437832 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4SMN1; SMN2TP53TSHR

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-7671129-B2 thermoplastic resin blends demonstrating impact strength, nonhydrolyzing and resist to heat discoloration; co-monomers including methylmethacrylate, butadiene MITSUBISHI RAYON CO., LTD. (JP) 2010-03-02 US disclosed
US-20060217496-A1 Thermoplastic resin composition MITSUBISHI RAYON CO., LTD. (JP) 2006-09-28 US disclosed
EP-1602690-A1 THERMOPLASTIC RESIN COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2005-12-07 EP disclosed