SCHEMBL11235851

SCHEMBL11235851

Cc1ccc2c(c1)OC(CCBr)CO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
MTNR1A P48039 1/20 0.42
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11222928 0.94 CA2 (0.49) CA2GAAHSD17B10HTTTSHR
SCHEMBL17272701 0.87 CA2 (0.58) CA2GAAFFAR1TSHRRAB9A
SCHEMBL15870243 0.87 CA2 (0.58) CA2GAAFFAR1TSHRRAB9A
SCHEMBL11245432 0.84 CA2 (0.56) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL11228381 0.83 MTNR1A (0.40) CA2MTNR1AGAAHSD17B10HTT
SCHEMBL8282396 0.82 CA2 (0.59) CA2GAAFFAR1RAB9ALMNA
SCHEMBL11224196 0.81 CA2 (0.56) CA2MTNR1AFFAR1HTTTSHR
SCHEMBL6984007 0.81 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL6984001 0.81 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1
SCHEMBL29481813 0.81 CA2 (0.58) CA2MTNR1AGAAHSD17B10FFAR1

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-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed