SCHEMBL9952077

SCHEMBL9952077

CC(Oc1ccc(-c2[c]ccc(Cc3ccccc3)c2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 1/20 0.40
LTA4H P09960 2/20 0.40
LTB4R Q15722 7/20 0.37
LTB4R2 Q9NPC1 7/20 0.37
IGLV6-57 P01721 1/20 0.37
ALOX5 P09917 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 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
SCHEMBL8129279 0.78 CALM1 (0.46) LTA4H
SCHEMBL8123568 0.74 NR1H2 (0.40)
SCHEMBL8489407 0.72 ALDH1A1 (0.36) LTA4H
SCHEMBL6904351 0.71 FFAR1 (0.61) FFAR1S1PR5S1PR1LTB4RLTB4R2
SCHEMBL4363303 0.67 FFAR1 (0.56) FFAR1S1PR5S1PR1LTB4RLTB4R2
SCHEMBL14114020 0.67 FFAR1 (0.62) FFAR1S1PR5S1PR1LTB4RLTB4R2
SCHEMBL864142 0.66 FFAR1 (0.49) FFAR1S1PR5S1PR1LTB4RLTB4R2
SCHEMBL9952370 0.66 ALDH1A1 (0.44) LTA4H
SCHEMBL8939754 0.66 LTA4H (0.48) LTA4H
SCHEMBL12351783 0.66 FFAR1 (0.60) FFAR1S1PR5S1PR1LTB4RLTB4R2

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
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed