SCHEMBL9493577

SCHEMBL9493577

CC=C(C)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
GPR52 Q9Y2T5 1/20 0.41
KMT2A Q03164 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL18621223 1.00 TSHR (0.43) TSHRACHESMN1; SMN2HPGDGPR52
SCHEMBL9493573 1.00 TSHR (0.43) TSHRACHESMN1; SMN2HPGDGPR52
SCHEMBL16257948 0.83 TSHR (0.41) TSHRACHESMN1; SMN2HPGDGPR52
SCHEMBL15910263 0.81 TSHR (0.39) TSHRACHESMN1; SMN2HPGDGPR52
SCHEMBL18619735 0.81 MAOA (0.40) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL23969500 0.81 TRPA1 (0.44) TSHRHPGDKMT2AHTTGAA
SCHEMBL14950438 0.81 MAOA (0.40) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL18458131 0.79 KMT2A (0.41) TSHRACHESMN1; SMN2HPGDKMT2A
SCHEMBL20386274 0.79 SMN1; SMN2 (0.35) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL20942904 0.78 SMN1; SMN2 (0.41) TSHRSMN1; SMN2HPGDGPR52ERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106589380-A LCD encapsulation protecting adhesive 苏州兴创源新材料科技有限公司 2017-04-26 CN claimed
CN-105061768-B A kind of preparation method of epoxy-capped pendant vinyl yhnethylphenyl silicone oil 嘉兴联合化学有限公司 2018-01-16 CN disclosed
CN-106589380-A LCD encapsulation protecting adhesive 苏州兴创源新材料科技有限公司 2017-04-26 CN disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 EP disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed