SCHEMBL8203909

SCHEMBL8203909

COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCBr

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.69
LTB4R2 Q9NPC1 1/20 0.61
PRSS1 P07477 4/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
BCL2L1 Q07817 2/20 0.47
MAOB P27338 2/20 0.47
MCHR1 Q99705 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL8994956 0.90 LTB4R (0.72) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL8074983 0.89 LTB4R (0.67) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL6138115 0.86 LTB4R (0.74) LTB4RLTB4R2TSHRBCL2L1MCHR1
SCHEMBL8994928 0.83 LTB4R (0.84) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL1545763 0.83 THRA (0.51) LTB4RPRSS1THRATHRBTSHR
SCHEMBL8748088 0.83 LTB4R (0.72) LTB4RLTB4R2PRSS1THRATHRB
Moxilubant SCHEMBL6439215 0.82 LTB4R (1.00) LTB4RLTB4R2PRSS1
SCHEMBL8747939 0.82 LTB4R (0.74) LTB4RLTB4R2PRSS1THRATHRB
SCHEMBL8748091 0.82 LTB4R (0.74) LTB4RLTB4R2PRSS1THRATHRB
Moxilubant SCHEMBL29388138 0.82 LTB4R (1.00) LTB4RLTB4R2PRSS1

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
US-6150390-A ACCELERATES BONE FORMATION; OSTEOPOROSIS; (LTB-4(LEUKOTRIENE-B-4; 5,12-DIHYDROXYEICOSATETRA-6,8,10,14-ENOIC ACID) RECEPTOR ANTAGONIST DONG WHA PHARM. IND. CO., LTD. (KR) 2000-11-21 US disclosed