SCHEMBL8684165

SCHEMBL8684165

COc1cccc(S(=O)(=O)C2CC(C(=O)O)NC2c2ccccc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KAT6A Q92794 2/20 0.42
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PAX8 Q06710 1/20 0.38
HSD11B1 P28845 1/20 0.37
ELOVL6 Q9H5J4 1/20 0.37
NFE2L2 Q16236 2/20 0.36
KEAP1 Q14145 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
RAB9A P51151 2/20 0.35
PGR P06401 2/20 0.35
NPC1 O15118 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL8666857 0.86 KMT2A (0.38) CYP3A4CYP2C9KAT6ALMNATSHR
SCHEMBL8871034 0.86 KMT2A (0.38) CYP3A4CYP2C9KAT6ALMNATSHR
Hydrochloric Acid SCHEMBL8666991 0.85 KMT2A (0.37) CYP3A4CYP2C9KAT6ALMNATSHR
SCHEMBL8684409 0.85 KAT6A (0.39) KAT6AMAPK1LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL8684148 0.84 KAT6A (0.38) KAT6AMAPK1LMNATSHRSMN1; SMN2
SCHEMBL8685324 0.81 L3MBTL1 (0.38) CYP3A4CYP2C9ELOVL6
SCHEMBL8689402 0.79 MEN1 (0.35) CYP3A4CYP2C9KAT6ALMNAELOVL6
SCHEMBL8684306 0.78 MEN1 (0.37) CYP3A4CYP2C9KAT6ALMNATSHR
Hydrochloric Acid SCHEMBL8689708 0.78 MEN1 (0.35) CYP3A4CYP2C9KAT6ALMNAELOVL6
SCHEMBL8683694 0.78 KMT2A (0.41) CYP3A4CYP2C9LMNATSHRTHRB

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-5716936-A Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders RHONE-POULENC RORER S.A. (FR) 1998-02-10 US disclosed