SCHEMBL9423730

SCHEMBL9423730

COc1cc(F)ccc1OC(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
LDHA P00338 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL9423717 0.93 FFAR1 (0.48) KMT2ALDHAFFAR1FFAR4HTT
SCHEMBL2283360 0.81 KMT2A (0.43) KMT2ALDHAFFAR1FFAR4HTT
SCHEMBL628528 0.80 KMT2A (0.70) KMT2ALDHAHTTLMNACYP1A2
SCHEMBL24306428 0.77 NFE2L2 (0.46) KMT2AHTTLMNAMAPK1ACHE
SCHEMBL166380 0.75 NFE2L2 (0.61) FFAR1FFAR4MAPK1CYP1A2CYP3A4
SCHEMBL18472613 0.75 NFE2L2 (0.61) FFAR1FFAR4MAPK1CYP1A2CYP3A4
SCHEMBL8109358 0.75 KMT2A (0.47) KMT2AFFAR1FFAR4LMNACYP3A4
SCHEMBL9632874 0.74 NFE2L2 (0.43) CYP1A2CYP3A4CYP2C19CA12CA1
SCHEMBL2908009 0.74 TSHR (0.62) RAB9ACYP1A2CYP3A4CYP2C19TSHR
SCHEMBL28299621 0.73 NFE2L2 (0.59) FFAR1FFAR4MAPK1CYP1A2CYP3A4

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
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed