SCHEMBL251871

SCHEMBL251871

CCCCCCCCCCCC(CCCCCC=CCO)OC(CCCCCC=CCO)CCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
FAAH O00519 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKCA P17252 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL7994536 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL27586618 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL251323 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL519182 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL170304 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL7072490 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL519027 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL438865 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL251249 0.96 ALDH1A1 (0.42) ALDH1A1CNR1CNR2FAAHTRPV1
SCHEMBL250711 0.93 ALDH1A1 (0.39) ALDH1A1CNR1CNR2FAAHPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407179-A1 EXTERNAL PREPARATION CONTAINING ANALGESIC/ANTI-INFLAMMATORY AGENT Kowa Company, Ltd. (JP) 2012-01-18 EP disclosed
US-20120004305-A1 EXTERNAL PREPARATION CONTAINING ANALGESIC/ANTI-INFLAMMATORY AGENT KOWA CO., LTD. (JP) 2012-01-05 US disclosed
US-20120004306-A1 EXTERNAL PREPARATION CONTAINING ANALGESIC/ANTI-INFLAMMATORY AGENT KOWA CO., LTD. (JP) 2012-01-05 US disclosed
US-20110319399-A1 EXTERNAL PREPARATION CONTAINING ANALGESIC/ANTI-INFLAMMATORY AGENT KOWA CO., LTD. (JP) 2011-12-29 US disclosed