SCHEMBL10965629

SCHEMBL10965629

O=C(O)CC(SSC(c1ccc2c(c1)OCO2)C(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
MAPK9 P45984 1/20 0.47
MME P08473 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
SRD5A2 P31213 1/20 0.40
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6232744 0.79 KMT2A (0.53) KMT2AMAPK9MMEALDH1A1MAPK1
SCHEMBL10962577 0.76 KDM4E (0.42) KMT2AALDH1A1MAPK1CYP2C19CYP2D6
SCHEMBL10965963 0.74 HSD17B10 (0.38) KMT2AALDH1A1GAANPSR1
SCHEMBL5858099 0.73 KMT2A (0.62) KMT2AMAPK9MMEALDH1A1MAPK1
SCHEMBL10962833 0.73 GAA (0.52) ALDH1A1CYP3A4GAANPSR1
SCHEMBL10962386 0.73 FFAR1 (0.44) KMT2AALDH1A1CYP2C19CYP2C9
SCHEMBL3728878 0.71 KMT2A (0.59) KMT2AMAPK9MMEALDH1A1MAPK1
SCHEMBL5150990 0.71 KMT2A (0.59) KMT2AMAPK9MMEALDH1A1MAPK1
SCHEMBL4673967 0.71 KMT2A (0.59) KMT2AMAPK9MMEALDH1A1MAPK1
SCHEMBL11301299 0.71 KMT2A (0.59) KMT2AMAPK9MMEALDH1A1MAPK1

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
US-4503033-A SHAMPOO, LOTIONS, HAIR SPRAYS SOCIETE ANONYME DITE: L'OREAL (FR) 1985-03-05 US disclosed
US-4348383-A Dithioether-based cosmetic compositions for the treatment of the oily state of hair and skin L'OREAL (FR) 1982-09-07 US disclosed