SCHEMBL9979438

SCHEMBL9979438

CCCCCC1C[CH]CCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
EPHX1 P07099 1/20 0.35
LSS P48449 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.31
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NAAA Q02083 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9979053 0.98 CYP1A2 (0.47) CYP1A2EPHX1LSSSIGMAR1ALDH1A1
SCHEMBL9979063 0.98 CYP1A2 (0.47) CYP1A2EPHX1LSSSIGMAR1ALDH1A1
SCHEMBL9979342 0.98 CYP1A2 (0.47) CYP1A2EPHX1LSSSIGMAR1ALDH1A1
SCHEMBL11860033 0.98 CYP1A2 (0.47) CYP1A2EPHX1LSSSIGMAR1ALDH1A1
SCHEMBL9980491 0.98 CYP1A2 (0.47) CYP1A2EPHX1LSSSIGMAR1ALDH1A1
SCHEMBL27724374 0.94 CYP1A2 (0.56) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL5354505 0.94 CYP1A2 (0.56) CYP1A2SIGMAR1HTTLMNAMAPK1
SCHEMBL5146177 0.91 CYP1A2 (0.53) CYP1A2EPHX1LSSSIGMAR1ALDH1A1
SCHEMBL2369990 0.90 CYP1A2 (0.43) CYP1A2EPHX1LSSALDH1A1PKM
SCHEMBL3031906 0.88 CYP1A2 (0.54) CYP1A2EPHX1LSSSIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed
CN-102268157-A Polypropylene resin composition 2011-12-07 CN disclosed
EP-0172360-B1 CYCLOHEXANECARBONITRILES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
US-4650853-A POLYETHERS THE DOW CHEMICAL COMPANY (US) 1987-03-17 US disclosed