SCHEMBL9307600

SCHEMBL9307600

COCOc1cccc(CC2(O)CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ALOX5 P09917 9/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
FYN P06241 1/20 0.37
GRIN2B Q13224 4/20 0.35
NPY1R P25929 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL9308163 0.84 ALOX5 (0.42) FFAR1ALOX5MEN1NPC1GAA
SCHEMBL9208096 0.78 ALOX5 (0.48) ALOX5NPY1R
SCHEMBL25525962 0.75 TAAR1 (0.50) MEN1KMT2AGRIN2B
SCHEMBL1135279 0.75 FYN (0.56) FFAR1MAPK1FYN
SCHEMBL9218794 0.73 ALOX5 (0.65) ALOX5
SCHEMBL25517325 0.72 CYP4F2 (0.58) FFAR1ALOX5MEN1GAAMAPT
SCHEMBL5343612 0.72 MEN1 (0.50) MEN1MAPTKMT2AGRIN2B
SCHEMBL8406860 0.71 OPRL1 (0.51) GRIN2B
SCHEMBL9224261 0.70 NPY1R (0.39) ALOX5MEN1KMT2ANPY1R
SCHEMBL21116575 0.70 IDO1 (0.50) FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed