SCHEMBL16416699

SCHEMBL16416699

CCN(C(=O)C1CC1c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)C(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
HRH1 P35367 1/20 0.37
LPAR3 Q9UBY5 3/20 0.35
GPR88 Q9GZN0 7/20 0.33
CHRM5 P08912 2/20 0.33

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
SCHEMBL16416698 1.00 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL21977558 0.89 LPAR1 (0.53) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4130 0.89 LPAR1 (0.53) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4558 0.83 LPAR1 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11724 0.82 LPAR1 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4131 0.80 LPAR1 (0.46) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4132 0.80 LPAR1 (0.46) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11723 0.78 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL11756 0.78 ABCC3 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4401 0.74 LPAR1 (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8

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
EP-3024457-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE Update Pharma Inc. (US) 2016-06-01 EP disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed