SCHEMBL8178290

SCHEMBL8178290

C=CCOc1cc(C(=O)O)c(F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
TSHR P16473 1/20 0.57
PPOX P50336 6/20 0.46
MRGPRX4 Q96LA9 4/20 0.45
TP53 P04637 1/20 0.44
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
LIG1 P18858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PYGL P06737 1/20 0.36

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
SCHEMBL8186579 0.88 GAA (0.47) GAATSHRPPOXTP53HTR2C
SCHEMBL2478229 0.83 GAA (0.61) GAATSHRPPOXMRGPRX4TP53
SCHEMBL20677871 0.83 GAA (0.66) GAATSHRPPOXMRGPRX4TP53
SCHEMBL8182106 0.82 GAA (0.42) GAATSHRPPOXHTR2CHTR2B
SCHEMBL7756649 0.82 GAA (0.42) GAATSHRPPOXTP53HTR2C
SCHEMBL8168167 0.79 TSHR (0.68) GAATSHRTP53LIG1
Hydrochloric Acid SCHEMBL8164468 0.77 TSHR (0.66) GAATSHRTP53LIG1
SCHEMBL8177207 0.75 PPOX (0.45) GAATSHRPPOXHTR2CHTR2B
SCHEMBL8358490 0.75 PPOX (0.48) GAATSHRPPOXHTR2CHTR2B
SCHEMBL6742902 0.74 PYGL (0.49) MRGPRX4TP53NPC1RAB9APYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054413-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0931072-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed