SCHEMBL9615216

SCHEMBL9615216

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MGLL Q99685 3/20 0.52
▸ MAPT P10636 3/20 0.51
▸ THRB P10828 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ FABP3 P05413 1/20 0.45

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
SCHEMBL5454330 0.93 BCL9 (0.65) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL13729888 0.92 BCL9 (0.67) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL1942721 0.92 BCL9 (0.67) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL13164410 0.92 BCL9 (0.67) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL1942724 0.92 BCL9 (0.67) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL11761443 0.92 BCL9 (0.67) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL11761431 0.92 BCL9 (0.67) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL23117008 0.87 MAPT (0.48) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL2703750 0.87 MGLL (0.54) BCL9CTNNB1ALDH1A1TDP1MGLL
SCHEMBL31112585 0.85 MGLL (0.55) BCL9CTNNB1ALDH1A1TDP1MGLL

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
JP-4124160-A — — None — — JP disclosed
JP-H04124160-A OMEGA-ACYLOXYCARBOXYLIC ACID DERIVATIVE AND PRODUCTION OF ACYLGLUCOCYLCERAMIDE USING DERIVATIVE AS RAW MATERIAL TAKASAGO INTERNATL CORP 1992-04-24 — — JP disclosed
Send feedback