SCHEMBL30579629

SCHEMBL30579629

O=C(Cl)C=Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ CYP1A2 P05177 2/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ MAPT P10636 3/20 0.61
▸ TRPM8 Q7Z2W7 3/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ TRPV1 Q8NER1 1/20 0.61
▸ CYP1A1 P04798 1/20 0.61
▸ CYP1B1 Q16678 1/20 0.61
▸ HPGD P15428 2/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL1232929 1.00 MAOB (0.66) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL1232928 1.00 MAOB (0.66) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL30380489 0.90 KDM4E (0.73) MAOBKDM4EALDH1A1MAPTRAB9A
SCHEMBL24593725 0.90 KDM4E (0.73) MAOBKDM4EALDH1A1MAPTRAB9A
SCHEMBL17340467 0.89 HSD17B10 (0.76) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL2744431 0.86 MAOB (0.70) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL2744424 0.86 MAOB (0.70) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL79427 0.85 KDM4E (0.81) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL29644896 0.85 KDM4E (0.81) MAOBKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL4745286 0.85 KDM4E (0.81) MAOBKDM4EALDH1A1CYP1A2HSD17B10

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
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP disclosed
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