SCHEMBL9242953

SCHEMBL9242953

C=C1C(=O)O[C@H]2CC(C)CCC12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PAX8 Q06710 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
SCHEMBL8629540 1.00 MAPT (0.43) MAPTRAB9ANPC1XBP1HTT
SCHEMBL8631899 1.00 MAPT (0.43) MAPTRAB9ANPC1XBP1HTT
SCHEMBL8629536 1.00 MAPT (0.43) MAPTRAB9ANPC1XBP1HTT
SCHEMBL9240777 1.00 MAPT (0.43) MAPTRAB9ANPC1XBP1HTT
SCHEMBL29410309 1.00 MAPT (0.43) MAPTRAB9ANPC1XBP1HTT
SCHEMBL24299728 0.72 CYP19A1 (0.41) MAPTRAB9ANPC1XBP1HTT
SCHEMBL10192292 0.72 CYP19A1 (0.41) MAPTRAB9ANPC1XBP1HTT
SCHEMBL8394084 0.72 CYP19A1 (0.44) MAPTRAB9ANPC1XBP1HTT
SCHEMBL17147745 0.71 CYP19A1 (0.44) MAPTRAB9ANPC1XBP1HTT
SCHEMBL21563387 0.71 MAPT (0.45) MAPTRAB9ANPC1XBP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464824-A Odors and perfumed articles FIRMENICH SA (CH) 1995-11-07 — — US disclosed
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