SCHEMBL4023327

SCHEMBL4023327

CCn1c2c(c3c(Cl)c(C(=O)OC)ccc31)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.41
▸ RORC P51449 3/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SCARB1 Q8WTV0 1/20 0.38
▸ FABP4 P15090 3/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL4025431 0.86 SCARB1 (0.46) HSD17B10KDM4ERAB9AALDH1A1HPGD
SCHEMBL4029927 0.86 SCARB1 (0.43) HSD17B10KDM4ERAB9AALDH1A1HPGD
SCHEMBL4033009 0.83 SCARB1 (0.41) HSD17B10RORCKDM4ERAB9AALDH1A1
SCHEMBL4204074 0.80 ALDH1A1 (0.45) KDM4EALDH1A1KMT2ASCARB1POLB
SCHEMBL4031956 0.78 THRB (0.42) SCARB1
SCHEMBL4024437 0.76 HSD17B10 (0.46) HSD17B10RORCKDM4ERAB9AALDH1A1
SCHEMBL13746785 0.76 SCARB1 (0.38) HSD17B10KDM4EALDH1A1KMT2ASCARB1
SCHEMBL13747863 0.74 SCARB1 (0.46) HSD17B10KDM4ERAB9AALDH1A1HPGD
SCHEMBL5794717 0.74 GALK1 (0.39) HSD17B10KDM4ERAB9AALDH1A1HPGD
SCHEMBL6756508 0.73 SCARB1 (0.63) HSD17B10RORCKDM4EALDH1A1HPGD

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-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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