SCHEMBL9504908

SCHEMBL9504908

Cc1ccccc1C(C)(OC(C)(c1ccccc1C)c1ccccc1C)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ACHE P22303 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CASR P41180 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 2/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MGLL Q99685 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
SCHEMBL9504882 0.83 GABRA1 (0.45) TSHRACHEGABRA1GABRB2CASR
SCHEMBL1316916 0.81 TSHR (0.39) TSHRACHEGABRA1GABRB2CASR
SCHEMBL10593629 0.80 TSHR (0.43) TSHRACHEGABRA1GABRB2CASR
SCHEMBL9507129 0.78 GABRA1 (0.36) TSHRACHEGABRA1GABRB2CASR
SCHEMBL41854 0.77 TSHR (0.45) TSHRACHEGABRA1GABRB2CASR
SCHEMBL5046947 0.77 TSHR (0.45) TSHRACHEGABRA1GABRB2CASR
SCHEMBL9694912 0.76 MAPK1 (0.40) TSHRACHEGABRA1GABRB2CASR
SCHEMBL1945388 0.76 TSHR (0.50) TSHRACHEGABRA1GABRB2CASR
SCHEMBL5496813 0.76 GABRA1 (0.58) TSHRACHEGABRA1GABRB2CASR
SCHEMBL30337376 0.76 TSHR (0.50) TSHRACHEGABRA1GABRB2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261962-B1 PROCESS FOR PRODUCING PROPYLENE BLOCK COPOLYMER MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-07-28 EP disclosed
EP-0261962-A2 Process for producing propylene block copolymer MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-03-30 EP disclosed