SCHEMBL22108733

SCHEMBL22108733

Cc1nc(-c2nnn(C)c2COC2CCCCO2)cnc1OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.48
▸ ABCB11 O95342 3/20 0.48
▸ ABCC3 O15438 2/20 0.35
▸ ABCC4 O15439 2/20 0.35
▸ SLCO1B3 Q9NPD5 2/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30
▸ TGFBR2 P37173 1/20 0.30

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
SCHEMBL19715709 0.88 SLCO1B1 (0.66) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715615 0.86 SLCO1B1 (0.38) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715607 0.86 SLCO1B1 (0.39) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29411747 0.85 SLCO1B1 (0.55) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19728938 0.85 SLCO1B1 (0.55) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL22108342 0.81 SLCO1B1 (0.52) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24982985 0.81 SLCO1B1 (0.39) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29068103 0.79 SLCO1B1 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL30452478 0.79 SLCO1B1 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715601 0.79 SLCO1B1 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3

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
EP-3666771-A1 LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-06-17 — — EP disclosed
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