SCHEMBL9005286

SCHEMBL9005286

C/C=C/CCc1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53
GPR52 Q9Y2T5 1/20 0.52
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL9005287 1.00 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL13639167 0.87 HDAC1 (0.57) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL14167525 0.87 HDAC1 (0.57) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL8507670 0.86 TAAR1 (0.62) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL10446473 0.83 FFAR1 (0.46) GPR52
SCHEMBL21035757 0.82 RELA (0.54) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL30080050 0.81 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL723511 0.81 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL417948 0.81 TAAR1 (0.61) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL1162041 0.81 TAAR1 (0.61) TAAR1CHRM2CHRM1CHRM3IDO1

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-5550284-A Production method for alkoxynaphthalenecarboxylic acid SUMIKIN CHEMICAL CO., LTD. (JP) 1996-08-27 US disclosed