SCHEMBL31329296

SCHEMBL31329296

c1ccc2c(c1)Cc1c(ccc3c1ccc1ccccc13)O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HPRT1 P00492 3/20 0.45
CYP1A2 P05177 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 2/20 0.44
GLA P06280 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
MAPT P10636 2/20 0.36
HNF4A P41235 1/20 0.36
PAX8 Q06710 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL668167 1.00 MAOA (0.50) MAOAMAOBHPRT1CYP1A2HSD17B10
SCHEMBL30688778 0.92 MAOA (0.55) MAOAMAOBCYP1A2HSD17B10KDM4E
SCHEMBL79264 0.92 MAOA (0.55) MAOAMAOBCYP1A2HSD17B10KDM4E
SCHEMBL29370052 0.92 MAOA (0.55) MAOAMAOBCYP1A2HSD17B10KDM4E
Water SCHEMBL27261398 0.90 MAOA (0.53) MAOAMAOBCYP1A2HSD17B10KDM4E
SCHEMBL29876714 0.83 MAOA (0.42) MAOAMAOBCYP1A2HSD17B10KDM4E
Hypophosphorous Acid SCHEMBL29912580 0.80 MAOA (0.39) MAOAMAOBCYP1A2HSD17B10KDM4E
SCHEMBL414928 0.79 HSD17B10 (0.59) HPRT1CYP1A2HSD17B10KDM4ECYP2C19
SCHEMBL29688038 0.79 HSD17B10 (0.59) HPRT1CYP1A2HSD17B10KDM4ECYP2C19
SCHEMBL3674511 0.77 MAOA (0.46) MAOAMAOBCYP1A2HSD17B10KDM4E

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-4083174-B1 REFRIGERATION CYCLE DEVICE, REFRIGERATION MACHINE OIL AND REFRIGERANT LEAKAGE PREVENTION AGENT DAIKIN IND LTD (JP) 2025-01-22 EP claimed