SCHEMBL9706054

SCHEMBL9706054

CC(C)c1cccc(OC(=O)O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
LPAR1 Q92633 1/20 0.40
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
S1PR1 P21453 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28397404 0.88 FFAR1 (0.40) LMNAKMT2ALPAR1CYP1A2TSHR
SCHEMBL15560740 0.86 ELANE (0.41) KCNK3KCNK9LMNAKMT2ALPAR1
SCHEMBL9979219 0.83 TSHR (0.49) LMNAKMT2ALPAR1CYP1A2TSHR
SCHEMBL30791332 0.80 KCNK3 (0.47) KCNK3KCNK9KMT2ALPAR1FABP3
SCHEMBL11423928 0.78 INPPL1 (0.46) KCNK3KCNK9LMNAKMT2ALPAR1
SCHEMBL237314 0.78 FABP4 (0.46) LMNAKMT2AFABP3FABP4FABP5
SCHEMBL28984011 0.78 KDM4E (0.42) KCNK3KCNK9LMNAKMT2ALPAR1
SCHEMBL1156949 0.77 GABRA1 (0.42) KMT2AFABP3FABP4FABP5
SCHEMBL28888676 0.77 KMT2A (0.42) KCNK3KCNK9LMNAKMT2ALPAR1
SCHEMBL15833732 0.76 GABRA1 (0.48) LMNAKMT2ACYP1A2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed
EP-0216860-A4 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1989-02-22 EP disclosed
EP-0216860-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1987-04-08 EP disclosed
WO-1986005518-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON JAMES 1986-09-25 WO disclosed