SCHEMBL9215317

SCHEMBL9215317

NCCSCCc1ccoc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALOX5 P09917 1/20 0.36
MPO P05164 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP2A6 P11509 1/20 0.31
HTR2A P28223 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA2 P00918 1/20 0.31
NAAA Q02083 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1191598 0.79
SCHEMBL2244618 0.75
SCHEMBL656544 0.74
SCHEMBL8670495 0.73 ALOX5 (0.43) ALOX5SLC1A3SLC1A2SLC1A1NAAA
SCHEMBL11576084 0.73 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP2A6HTR2A
Hydrochloric Acid SCHEMBL9257543 0.72
Oxalic Acid SCHEMBL7504861 0.69 ALOX5 (0.47) CYP2D6CYP2C19ALOX5CYP2A6HTR2A
SCHEMBL12796854 0.68 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19SMN1; SMN2LOXL2
SCHEMBL9219651 0.67 ALOX5 (0.34) ALOX5
SCHEMBL9220089 0.67 ALOX5 (0.38) CYP1A2CYP2D6ALOX5SLC1A3SLC1A2

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
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed