SCHEMBL27501209

SCHEMBL27501209

CCCCC(CC)COC(=O)c1ccccc1NC

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.78
▸ CYP3A4 P08684 4/20 0.78
▸ CA2 P00918 1/20 0.78
▸ LMNA P02545 4/20 0.70
▸ PRSS1 P07477 1/20 0.70
▸ PRSS2 P07478 1/20 0.70
▸ PRSS3 P35030 1/20 0.70
▸ TSHR P16473 8/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.50
▸ ATM Q13315 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 1/20 0.44

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
Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 0.88 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 0.88 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 0.88 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL2864306 0.88 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL20271 0.88 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL8114253 0.86 ALDH1A1 (0.72) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL14892433 0.86 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL4602015 0.86 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL22190333 0.86 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL74067 0.86 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1

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
CN-1131909-A Depilatory compositions comprising sulfhydral compounds PROCTER & GAMBLE (US) 1996-09-25 — — CN disclosed
CN-1050500-A Reduce skin irritant sunscreen composition RICHARDSON VICKS INC (US) 1991-04-10 — — CN disclosed
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