SCHEMBL14123786

SCHEMBL14123786

COc1cc(CC(=O)O)c(OC)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
HTR2A P28223 9/20 0.54
TAAR1 Q96RJ0 3/20 0.54
HTR2C P28335 1/20 0.54
CYP3A4 P08684 1/20 0.53
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA9 Q16790 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL11420544 0.89 HSD17B10 (0.67) HSD17B10TAAR1CYP3A4CA12CA1
SCHEMBL1098115 0.87 CA1 (0.55) HSD17B10CYP3A4LCKFYNCA12
SCHEMBL30554807 0.87 CA1 (0.55) HSD17B10CYP3A4LCKFYNCA12
SCHEMBL27002113 0.86 CYP3A4 (0.73) HTR2ATAAR1HTR2CCYP3A4LCK
SCHEMBL28611348 0.85 HSD17B10 (0.62) HSD17B10TAAR1CYP3A4GAANPSR1
SCHEMBL27917034 0.85 CYP3A4 (0.71) HSD17B10HTR2ACYP3A4CA12CA1
SCHEMBL21197947 0.85 HSD17B10 (0.51) HSD17B10HTR2ATAAR1HTR2CCYP3A4
SCHEMBL22774455 0.85 HSD17B10 (0.47) HSD17B10HTR2ATAAR1HTR2CCYP3A4
SCHEMBL22701156 0.85 LCK (0.53) HSD17B10HTR2ATAAR1HTR2CCYP3A4
SCHEMBL31306573 0.85 HSD17B10 (0.51) HSD17B10HTR2ATAAR1HTR2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024234014-A1 SUBLINGUAL SPRAY FORMULATIONS OF PSYCHEDELICS SPIRITUS BIOSCIENCE, INC. (US) 2024-11-14 WO disclosed
US-7396856-B2 Benzopyran analogs and their use for the treatment of glaucoma ALCON, INC. (CH) 2008-07-08 US disclosed
US-7396856-B2 Benzopyran analogs and their use for the treatment of glaucoma ALCON, INC. (CH) 2008-07-08 US disclosed