SCHEMBL4024319

SCHEMBL4024319

CCOC(CCn1c2c(c3cc(C(=O)OC)ccc31)CCCC2)OCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.48
▸ RORC P51449 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ PTGDR2 Q9Y5Y4 5/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL4028710 0.88 SCARB1 (0.61) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL6756508 0.84 SCARB1 (0.63) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL4030252 0.82 SCARB1 (0.70) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL4199326 0.81 SCARB1 (0.63) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL4024931 0.81 SCARB1 (0.69) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL4028758 0.81 SCARB1 (0.72) SCARB1HSD17B10RORCPTGDR2NPC1
SCHEMBL4189175 0.81 SCARB1 (0.69) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL4028396 0.80 SCARB1 (0.66) SCARB1HSD17B10RORCPTGDR2NPC1
SCHEMBL4029504 0.80 SCARB1 (0.68) SCARB1HSD17B10RORCKDM4EPTGDR2
SCHEMBL4195549 0.80 SCARB1 (0.68) SCARB1HSD17B10RORCKDM4EPTGDR2

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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