SCHEMBL10747714

SCHEMBL10747714

CCCCc1ccc(N=C(OCC)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ RARB P10826 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ CYP4Z1 Q86W10 1/20 0.38
▸ CYP4F11 Q9HBI6 1/20 0.38
▸ CYP4F12 Q9HCS2 1/20 0.38
▸ MAPT P10636 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
SCHEMBL10934519 0.96 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9HSD11B1RARB
SCHEMBL11869405 0.94 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9HSD11B1RARB
SCHEMBL11793104 0.89 TRPV1 (0.41) TRPV1CYP3A4CYP2D6CYP2C9RARB
SCHEMBL11772370 0.88 TSHR (0.41) TRPV1CYP3A4CYP2D6CYP2C9RARB
SCHEMBL1487481 0.87 TRPV1 (0.47) TRPV1CYP3A4CYP2D6CYP2C9RARB
SCHEMBL11788436 0.86 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9RARBALDH1A1
SCHEMBL18100333 0.85 SLC22A2 (0.49) CYP2C9ALDH1A1MAPT
SCHEMBL10533056 0.83 LTA4H (0.49) CYP2D6CYP2C9
SCHEMBL18100322 0.82 ALDH1A1 (0.43) ALDH1A1MAPT
SCHEMBL22808570 0.80 ESR1 (0.44) ALDH1A1CA1CA2MAPT

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
US-4702561-A AMINOANTHRAQUINONE BISANIL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-10-27 — — US disclosed
US-4291949-A Positive-type display device using guest-host type mixture of liquid crystals and dyes Wada, Masanobu (JP) 1981-09-29 — — US disclosed
US-4154746-A FOR USE IN ELECTRO-OPTICAL DISPLAY DEVICES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-05-15 — — US disclosed
US-4105299-A PLEOCHROIC, DISPLAYS, LIQUID CRYSTALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-08-08 — — US disclosed
US-4007077-A Liquid crystal cells DAI NIPPON TORYO KABUSHIKI KAISHA (JA) 1977-02-08 — — US disclosed
US-3966631-A Nematic liquid crystal composition HITACHI, LTD. (JA) 1976-06-29 — — US disclosed
US-3963638-A SULFONATES EASTMAN KODAK COMPANY (US) 1976-06-15 — — US disclosed
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