Sugi Predict

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SCHEMBL9080924

SCHEMBL9080924

COc1ccc(Oc2ccc(CN(Cc3ccccc3)C(=O)c3cc(C(=O)O)c(C(=O)O)cc3C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ LPAR1 Q92633 11/20 0.62
▸ LPAR5 Q9H1C0 7/20 0.62
▸ LPAR3 Q9UBY5 1/20 0.55
▸ KLK1 P06870 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RNF4 P78317 1/20 0.51

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
SCHEMBL9081861 0.97 TSHR (0.64) TSHRTDP1LPAR1LPAR5LPAR3
SCHEMBL9081215 0.92 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9080531 0.92 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081721 0.92 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9080371 0.92 TSHR (0.55) TSHRTDP1LPAR1LPAR5
SCHEMBL9081031 0.91 TSHR (0.53) TSHRTDP1LPAR1LPAR5
SCHEMBL9081219 0.90 TSHR (0.56) TSHRTDP1LPAR1LPAR5LPAR3
SCHEMBL9079997 0.90 TSHR (0.56) TSHRTDP1LPAR1LPAR5LPAR3
SCHEMBL9082369 0.90 TSHR (0.58) TSHRTDP1LPAR1LPAR5LPAR3
SCHEMBL9080301 0.89 TSHR (0.54) TSHRTDP1LPAR1LPAR5LPAR3

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-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed