SCHEMBL9739013

SCHEMBL9739013

N#CC(O)c1oc2ccccc2c1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.56
PPARG P37231 1/20 0.40
TSHR P16473 1/20 0.38
NQO1 P15559 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MCL1 Q07820 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PTPN1 P18031 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
HSD17B3 P37058 1/20 0.34

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
SCHEMBL9738466 0.80 ABCB1 (0.65) ABCB1PPARGNQO1MTNR1AMTNR1B
SCHEMBL9738780 0.79 ABCB1 (0.64) ABCB1PPARGNQO1MTNR1AMTNR1B
SCHEMBL9739889 0.74 ABCB1 (0.71) ABCB1PPARGTSHRMTNR1AMTNR1B
SCHEMBL9739542 0.73 ABCB1 (0.69) ABCB1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9744499 0.73 ABCB1 (0.69) ABCB1PPARGTSHRMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9750425 0.72 ABCB1 (0.68) ABCB1MTNR1AMTNR1B
SCHEMBL9739975 0.72 ABCB1 (1.00) ABCB1TSHRMTNR1AMTNR1BRAB9A
SCHEMBL9738669 0.72 ABCB1 (1.00) ABCB1TSHRMTNR1AMTNR1BRAB9A
Hydrochloric Acid SCHEMBL9741907 0.71 ABCB1 (0.98) ABCB1TSHRMTNR1AMTNR1BRAB9A
SCHEMBL4670194 0.69 MCL1 (0.68) ABCB1PPARGTSHRNQO1MTNR1A

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-1992017464-A1 PHARMACOLOGICALLY ACTIVE α-AMINOETHYL-2-BENZOFURANE METHANOLS SUBSTITUTED IN POSITION 3 NOE CHRISTIAN R (AT) 1992-10-15 WO disclosed