SCHEMBL20802895

SCHEMBL20802895

Cc1ccccc1Cc1ccc(CCCCOS(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ LTA4H P09960 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 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
SCHEMBL21028746 0.77 PLA2G7 (0.37) PLA2G7CNR1CNR2GPR55LTA4H
SCHEMBL20802902 0.74 LTA4H (0.39) CNR1CNR2GPR55LTA4HFFAR1
SCHEMBL12808277 0.74 MMP12 (0.44) FFAR1LMNA
SCHEMBL21028857 0.73 MAOA (0.57) LTA4HTAAR1
SCHEMBL11767120 0.73 ESR1 (0.52) CNR1CNR2GPR55CYP3A4TP53
SCHEMBL20803450 0.72 L3MBTL1 (0.65) L3MBTL1CYP3A4CYP2C9TP53CYP1A2
SCHEMBL8095627 0.72 LTA4H (0.53) LTA4HFFAR1TSHRTAAR1
SCHEMBL20803493 0.70 HDAC3 (0.62) FFAR1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL7111320 0.68 IGF1R (0.44) CYP3A4CYP2C9CYP1A2TAAR1LMNA
SCHEMBL10863097 0.68 CALM1 (0.52) LTA4HL3MBTL1CYP3A4CYP2C9TP53

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
EP-2925735-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2019-03-13 — — EP disclosed
Send feedback