Cyclohexane

Cyclohexane

SCHEMBL28485404

C1CCCCC1.NCc1ccccc1P

nearest known ligand 0.46

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 3/20 0.46
▸ DPP4 P27487 2/20 0.43
▸ NCF1 P14598 1/20 0.38
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ TAAR1 Q96RJ0 6/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34

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
SCHEMBL22810499 0.92 — —
Hydrogen Sulfide SCHEMBL28853138 0.90 PNMT (0.50) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL29405036 0.74 PNMT (0.63) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL15247 0.74 PNMT (0.63) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL21296567 0.73 HSPA5 (0.46) PNMTDPP4TAAR1
SCHEMBL16775680 0.72 TAAR1 (0.58) LOXL2TAAR1CYP2A6
Benzene SCHEMBL734438 0.72 DPP4 (0.62) PNMTDPP4LOXL2TAAR1CYP2A6
Hydrochloric Acid SCHEMBL2522138 0.72 PNMT (0.60) PNMTDPP4LOXL2TAAR1CYP2A6
Hydrochloric Acid SCHEMBL31276815 0.72 PNMT (0.60) PNMTDPP4LOXL2TAAR1CYP2A6
Water SCHEMBL6142580 0.72 PNMT (0.60) PNMTDPP4LOXL2TAAR1CYP2A6

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
CN-111777637-B Axial chiral oxindole-derived styrene phosphine oxide catalyst and preparation method and application thereof 江苏师范大学 2022-08-09 — — CN disclosed
CN-111777637-A Axial chiral oxindole-derived styrene phosphine oxide catalyst and preparation method and application thereof 江苏师范大学 2020-10-16 — — CN disclosed
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