SCHEMBL19640930

SCHEMBL19640930

CCCCCCCCCCCCCCOC(CCCC)CCCCC1CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ EBP Q15125 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PTAFR P25105 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ LPAR1 Q92633 4/20 0.32
▸ LPAR3 Q9UBY5 4/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32

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
SCHEMBL1110980 0.85 ALDH1A1 (0.43) ALDH1A1EPHX1EBPSIGMAR1SPHK1
SCHEMBL2049944 0.85 ALDH1A1 (0.43) ALDH1A1EPHX1EBPSIGMAR1SPHK1
SCHEMBL1110951 0.85 ALDH1A1 (0.43) ALDH1A1EPHX1EBPSIGMAR1SPHK1
SCHEMBL18662315 0.85 ALDH1A1 (0.43) ALDH1A1EPHX1EBPSIGMAR1SPHK1
SCHEMBL5972212 0.82 ALDH1A1 (0.39) ALDH1A1EPHX1EBPSIGMAR1CYP1A2
SCHEMBL2051911 0.79 EPHX1 (0.64) DNM1ALDH1A1EPHX1TDP1SPHK2
SCHEMBL1110915 0.79 ALDH1A1 (0.35) ALDH1A1EPHX1EBPSIGMAR1
SCHEMBL18662303 0.79 EBP (0.38) ALDH1A1EPHX1EBPSIGMAR1TDP1
SCHEMBL11179946 0.78 DNM1 (0.59) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL11182917 0.78 DNM1 (0.59) DNM1ALDH1A1LPAR1LPAR3LPAR2

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-10052268-B2 Oxidative hair dye composition HOYU CO., LTD. (JP) 2018-08-21 — — US disclosed
US-20170340524-A1 OXIDATIVE HAIR DYE COMPOSITION HOYU CO., LTD. (JP) 2017-11-30 — — US disclosed
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