SCHEMBL24316412

SCHEMBL24316412

COc1cc(O)cnc1OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALOX5 P09917 4/20 0.45
SIGMAR1 Q99720 3/20 0.43
EBP Q15125 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ADRB2 P07550 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL24316421 0.87 CALM1 (0.47) CYP11B1CYP11B2
SCHEMBL24316419 0.87 PDGFRB (0.49)
SCHEMBL24316416 0.87 TAAR1 (0.49) CYP11B1CYP11B2ALOX5DRD2
SCHEMBL24316417 0.84 TAAR1 (0.47) ALOX5SIGMAR1
SCHEMBL24316986 0.75 KDM4E (0.50)
SCHEMBL14485783 0.74 ABCB1 (0.48) ALOX5
SCHEMBL324131 0.74 CYP3A4 (0.46) ALOX5
SCHEMBL24316420 0.74 MAOB (0.45) SCN9A
SCHEMBL21327653 0.74 CSF1R (0.54)
SCHEMBL29256760 0.74 TUBB4A (0.56) ALOX5ADRB2

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
WO-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO disclosed