SCHEMBL28419131

SCHEMBL28419131

CCCC1CCC(c2cc(C3CCCCC3)c(OCC)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 12/20 0.36
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL9525607 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL28426915 0.78 KDM4E (0.33) OPRL1ALOX5APFEN1ALDH1A1LMNA
SCHEMBL28424127 0.77 EPHX2 (0.38) ALOX5APFEN1MITFALDH1A1LMNA
SCHEMBL7209706 0.76 OPRL1 (0.38) OPRL1ALDH1A1LMNAMAPTPTGDR2
SCHEMBL7215258 0.75 POLB (0.37) MITFALDH1A1LMNAMAPTCYP2C9
SCHEMBL2604709 0.74 CYP2C9 (0.38) OPRL1ALDH1A1LMNAMAPTHTR2A
SCHEMBL3274912 0.74 CYP2C9 (0.38) OPRL1ALDH1A1LMNAMAPTHTR2A
SCHEMBL12733782 0.74 CYP2C9 (0.38) OPRL1ALDH1A1LMNAMAPTHTR2A
SCHEMBL18134228 0.74 CYP2C9 (0.38) OPRL1ALDH1A1LMNAMAPTHTR2A
SCHEMBL30665195 0.74 CYP2C9 (0.38) OPRL1ALDH1A1LMNAMAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174783-B Transposition method of ultraviolet light induced 1-cyclohexyl-2, 3-difluorobenzene 江苏创拓新材料有限公司 2022-04-12 — — CN disclosed
CN-110964538-B Transposition method of 1-cyclohexyl-2, 3-difluorobenzene 江苏创拓新材料有限公司 2022-01-04 — — CN disclosed
CN-112174783-A Transposition method of ultraviolet light induced 1-cyclohexyl-2, 3-difluorobenzene 江苏创拓新材料有限公司 2021-01-05 — — CN disclosed
CN-110964538-A Transposition method of 1-cyclohexyl-2, 3-difluorobenzene 江苏创拓新材料有限公司 2020-04-07 — — CN disclosed
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