SCHEMBL11552647

SCHEMBL11552647

CC(=O)NC(CSCCCCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ BHMT Q93088 2/20 0.45
▸ GNPAT O15228 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FOLH1 Q04609 4/20 0.42
▸ ICMT O60725 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RIMKLA Q8IXN7 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ ADRA1A P35348 1/20 0.40

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
SCHEMBL16097664 0.88 MAPT (0.51) MAPTALDH1A1BHMTGNPATKDM4E
SCHEMBL11553457 0.88 MAPT (0.51) MAPTALDH1A1BHMTGNPATKDM4E
SCHEMBL21144523 0.88 MAPT (0.52) MAPTALDH1A1GNPATKDM4ETHRB
SCHEMBL29007209 0.85 MAPT (0.46) MAPTALDH1A1GNPATKDM4ETHRB
SCHEMBL9544079 0.84 GNPAT (0.47) MAPTALDH1A1GNPATTHRBBLM
SCHEMBL19927712 0.84 ICMT (0.53) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL9545188 0.84 ICMT (0.53) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL9545182 0.84 ICMT (0.53) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL9119016 0.84 ICMT (0.53) MAPTALDH1A1KDM4ETHRBALOX15
SCHEMBL19927710 0.84 ICMT (0.53) MAPTALDH1A1KDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 — — US claimed
US-4151301-A ANTISECRETORY L'OREAL (FR) 1979-04-24 — — US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 — — US disclosed
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