SCHEMBL19854953

SCHEMBL19854953

CCCCCCCCCC1CCC(c2ccc(-c3ccc(CCNC(=O)C(C)C)cc3CC)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.41
▸ PTGES O14684 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MMP2 P08253 3/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL20370471 0.88 SPHK1 (0.40) SPHK1MAPTALDH1A1LMNADGAT1
SCHEMBL20370470 0.88 SPHK1 (0.40) SPHK1MAPTALDH1A1LMNADGAT1
SCHEMBL16807054 0.85 SPHK1 (0.45) SPHK1MAPTALDH1A1LMNACYP2C9
SCHEMBL16807082 0.85 SPHK1 (0.47) SPHK1CYP2C9FFAR4
SCHEMBL16807059 0.84 SPHK1 (0.43) SPHK1MAPTALDH1A1LMNADGAT1
SCHEMBL30967307 0.84 SPHK1 (0.43) SPHK1MAPTALDH1A1LMNADGAT1
SCHEMBL30967306 0.84 SPHK1 (0.43) SPHK1MAPTALDH1A1LMNADGAT1
SCHEMBL16807060 0.84 SPHK1 (0.48) SPHK1CYP2C9FFAR4
SCHEMBL16807053 0.84 SPHK1 (0.48) SPHK1CYP2C9FFAR4
SCHEMBL16807067 0.84 SPHK1 (0.48) SPHK1CYP2C9FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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