SCHEMBL3814828

SCHEMBL3814828

CCCCCCCCCC(=O)OCC(CCC)CCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.61
▸ CYP3A4 P08684 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ LMNA P02545 4/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ DUSP3 P51452 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ DGKA P23743 1/20 0.51
▸ PRKCA P17252 3/20 0.51
▸ PRKCE Q02156 1/20 0.51
▸ PRKCQ Q04759 1/20 0.51
▸ PRKCD Q05655 1/20 0.51
▸ LPAR6 P43657 1/20 0.48
▸ LPAR1 Q92633 1/20 0.48
▸ LPAR4 Q99677 1/20 0.48
▸ LPAR5 Q9H1C0 1/20 0.48

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
SCHEMBL3809366 1.00 MAPT (0.61) MAPTCYP3A4TSHRATMTDP1
SCHEMBL3818009 0.98 CYP3A4 (0.61) MAPTCYP3A4TSHRATMTDP1
SCHEMBL9933892 0.92 CYP3A4 (0.62) MAPTCYP3A4TSHRATMTDP1
SCHEMBL14972841 0.92 CYP3A4 (0.62) MAPTCYP3A4TSHRATMTDP1
SCHEMBL14972861 0.91 CYP3A4 (0.64) MAPTCYP3A4TSHRATMTDP1
SCHEMBL9934466 0.89 CYP3A4 (0.66) MAPTCYP3A4TSHRATMTDP1
SCHEMBL9933237 0.89 CYP3A4 (0.66) MAPTCYP3A4TSHRATMTDP1
SCHEMBL489650 0.89 CYP3A4 (0.66) MAPTCYP3A4TSHRATMTDP1
SCHEMBL20767375 0.89 CYP3A4 (0.66) MAPTCYP3A4TSHRATMTDP1
SCHEMBL9932773 0.89 CYP3A4 (0.66) MAPTCYP3A4TSHRATMTDP1

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
US-9314414-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 — — US disclosed
US-9314413-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 — — US disclosed
US-20140121286-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 — — US disclosed
US-20140121394-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 — — US disclosed
US-8642652-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-02-04 — — US disclosed
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 — — US disclosed
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