SCHEMBL11260941

SCHEMBL11260941

CCC(Br)c1ccccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
GABRA1 P14867 3/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9465417 0.82 TSHR (0.41) TSHRGABRA1LMNAALDH1A1GABRB2
SCHEMBL11719990 0.80 TSHR (0.44) TSHRGABRA1GABRG2GABRB3OPRM1
SCHEMBL11273817 0.80 TSHR (0.35) TSHRGABRA1LMNAALDH1A1CYP1A2
SCHEMBL11262186 0.79 GABRA1 (0.43) TSHRAPOBEC3GGABRA1GABRG2GABRB3
SCHEMBL12981697 0.79 TSHR (0.42) TSHRAPOBEC3GGABRA1GABRG2GABRB3
SCHEMBL357875 0.78 TSHR (0.61) TSHRAPOBEC3GGABRA1GABRG2GABRB3
SCHEMBL9463681 0.78 LMNA (0.48) TSHRAPOBEC3GGABRA1GABRG2GABRB3
SCHEMBL357956 0.74 GABRA1 (0.58) TSHRAPOBEC3GGABRA1GABRG2GABRB3
SCHEMBL8857876 0.73 APOBEC3G (0.46) TSHRAPOBEC3GGABRA1GABRG2GABRB3
SCHEMBL27945798 0.73 CYSLTR2 (0.40) TSHRAPOBEC3GGABRA1GABRG2GABRB3

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-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 US disclosed