SCHEMBL8575743

SCHEMBL8575743

CCCCCCCCCCCCCC/C=C/C=C/OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ FASN P49327 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TK1 P04183 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ FAAH O00519 3/20 0.35
▸ ALB P02768 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL9510290 0.92 MCHR1 (0.44) MCHR1ALDH1A1TSHRPLA2G2CSMN1; SMN2
SCHEMBL6932473 0.92 MCHR1 (0.44) MCHR1ALDH1A1TSHRPLA2G2CSMN1; SMN2
SCHEMBL15226646 0.88 FAAH (0.43) MCHR1ALDH1A1TSHRLMNACYP3A4
SCHEMBL15226645 0.88 FAAH (0.43) MCHR1ALDH1A1TSHRLMNACYP3A4
SCHEMBL4865763 0.79 G6PD (0.41) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL4865752 0.79 G6PD (0.41) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL10730061 0.79 MCHR1 (0.43) MCHR1TSHRPLA2G2CTK1FAAH
SCHEMBL1914562 0.79 MCHR1 (0.43) MCHR1TSHRPLA2G2CTK1FAAH
SCHEMBL1914559 0.79 MCHR1 (0.43) MCHR1TSHRPLA2G2CTK1FAAH
SCHEMBL10730052 0.79 MCHR1 (0.43) MCHR1TSHRPLA2G2CTK1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753707-A TREATING SKIN DISORDER, DERMATITIS, ROUGH SKIN; BARRIER FUNCTION KAO CORPORATION (JP) 1998-05-19 — — US disclosed
EP-0761644-A2 Amide derivatives and their use in cosmetic composition KAO CORPORATION (JP) 1997-03-12 — — EP disclosed
EP-0398272-B1 Amide derivatives and dermatologic preparations containing the same KAO CORP (JP) 1994-08-10 — — EP disclosed
US-5221757-A Maintains normal barrier function of skin's horney layer and restores damaged barrier functions so as to suppress inflammation and chapping KAO CORPORATION (JP) 1993-06-22 — — US disclosed
US-5175321-A Amide alcohols for skins KAO CORPORATION (JP) 1992-12-29 — — US disclosed
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