SCHEMBL21028746

SCHEMBL21028746

CSOCCCCc1ccc(Cc2ccccc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC5A1 P13866 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ HRH1 P35367 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
SCHEMBL18458925 0.79 L3MBTL1 (0.49) L3MBTL1TDP1SIGMAR1
SCHEMBL20802895 0.77 PLA2G7 (0.38) PLA2G7LTA4HL3MBTL1TP53CYP1A2
SCHEMBL21028857 0.76 MAOA (0.57) LTA4HSLC5A1TAAR1HRH1
SCHEMBL11767120 0.76 ESR1 (0.52) TP53CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL20131148 0.75 IDO1 (0.55) L3MBTL1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL20803450 0.74 L3MBTL1 (0.65) L3MBTL1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL8095627 0.74 LTA4H (0.53) LTA4HTSHRTAAR1SLC6A2SLC6A4
SCHEMBL20749348 0.71 TAAR1 (0.48) CYP1A2CYP3A4CYP2C9TSHRTAAR1
SCHEMBL10863097 0.70 CALM1 (0.52) LTA4HL3MBTL1TP53CYP1A2CYP3A4
SCHEMBL20802902 0.70 LTA4H (0.39) LTA4HTSHRTAAR1CNR1CNR2

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-3489226-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2021-02-17 — — EP disclosed
EP-3489226-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 Lexicon Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
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