SCHEMBL9614595

SCHEMBL9614595

OOC(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNA5 P22460 1/20 0.42
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
FDPS P14324 1/20 0.39
KIF11 P52732 3/20 0.39
CYP3A4 P08684 2/20 0.38
RECQL P46063 2/20 0.38
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7001871 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL5145593 0.79 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL11248544 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL765190 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL238218 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL5145585 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL2484068 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KCNA5
SCHEMBL5846769 0.78 CYP2C19 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KCNA5
SCHEMBL4455000 0.78 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19LMNACYP2D6
SCHEMBL5830834 0.77 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479911-A4 ANIONIC POLYCARBOXYLATED SURFACTANTS AS DYE-LEVELING AGENTS 1992-07-29 EP disclosed
EP-0479911-A1 ANIONIC POLYCARBOXYLATED SURFACTANTS AS DYE-LEVELING AGENTS. OLIN CORP (US) 1992-04-15 EP disclosed
EP-0423230-A4 ANIONIC SURFACTANT ADDITION PRODUCTS OF MALEIC OR FUMARIC ACID AND A POLY(ETHOXYLATED) ALCOHOL 1991-07-24 EP disclosed
EP-0423230-A1 ANIONIC SURFACTANT ADDITION PRODUCTS OF MALEIC OR FUMARIC ACID AND A POLY(ETHOXYLATED) ALCOHOL. OLIN CORP (US) 1991-04-24 EP disclosed
WO-1991000318-A1 ANIONIC POLYCARBOXYLATED SURFACTANTS AS DYE-LEVELING AGENTS OLIN CORPORATION (US) 1991-01-10 WO disclosed
WO-1990000538-A1 ANIONIC SURFACTANT ADDITION PRODUCTS OF MALEIC OR FUMARIC ACID AND A POLY(ETHOXYLATED) ALCOHOL OLIN CORPORATION (US) 1990-01-25 WO disclosed