SCHEMBL9819649

SCHEMBL9819649

CCCCCCCCCCC(=O)C(N)C(N)(Br)Br

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.50
▸ CES1 P23141 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ GPR84 Q9NQS5 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
SCHEMBL27883583 0.83 CES2 (0.52) CES2CES1MEN1FAAHMAPK1
SCHEMBL10380718 0.80 FAAH (0.48) CES2CES1MEN1FAAHKMT2A
SCHEMBL115180 0.80 CES2 (0.48) CES2CES1MEN1FAAHMAPK1
SCHEMBL116649 0.80 CES2 (0.48) CES2CES1MEN1FAAHMAPK1
SCHEMBL737892 0.80 CES2 (0.48) CES2CES1MEN1FAAHMAPK1
SCHEMBL6016882 0.76 FAAH (0.44) CES2CES1MEN1FAAHKMT2A
SCHEMBL115276 0.76 FAAH (0.44) CES2CES1MEN1FAAHKMT2A
SCHEMBL11172888 0.76 CES2 (0.61) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL28127109 0.76 CES2 (0.61) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL28650034 0.76 CES2 (0.61) CES2CES1MEN1KMT2AALDH1A1

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
US-5009880-A Mixture of an anionic and cationic polymer for shampoos, skin lotions, nail strengtheners and hair dyeing; improved fixing and anchoring; smoothness; gloss L'OREAL (FR) 1991-04-23 — — US disclosed
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 — — US disclosed
US-4445521-A ANIONIC AND CATIONIC POLYMER COMBINATION L'OREAL (FR) 1984-05-01 — — US disclosed
US-4240450-A HAIR CONDITIONER OF ANIONIC POLYMERS AND CATIONIC POLYMERS L'OREAL (FR) 1980-12-23 — — US disclosed
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