SCHEMBL11205455

SCHEMBL11205455

CC(Oc1ccc(-c2cc(C(F)(F)F)ccn2)cc1O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.45
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
KMO O15229 4/20 0.38
MGLL Q99685 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PPARG P37231 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL9820726 0.84 ABCB11 (0.47) ABCB11PTGDR2PPARDPPARAMGLL
SCHEMBL10838777 0.84 ABCB11 (0.47) ABCB11PTGDR2PPARDPPARAMGLL
SCHEMBL10881332 0.84 PPARD (0.39) PTGDR2PPARDPPARAPPARG
SCHEMBL9359219 0.80 KMT2A (0.44) KMOTSHRHTR2AHTR2CHTR2B
SCHEMBL9804348 0.78 ABCB11 (0.43) ABCB11PTGDR2PPARDPPARATSHR
SCHEMBL9804459 0.78 ABCB11 (0.43) ABCB11PTGDR2PPARDPPARATSHR
SCHEMBL9820875 0.77 MAPK1 (0.44) ABCB11PTGDR2TSHRHTR2AHTR2C
SCHEMBL11013580 0.76 TRPV1 (0.49) ABCB11PTGDR2
SCHEMBL3369699 0.75 PTGDR2 (0.43) ABCB11PTGDR2MGLL
SCHEMBL10387602 0.74 KIF11 (0.40) ABCB11PTGDR2PPARDPPARAIDO1

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-0086746-A1 Phenylamino-oxo-acetic acids and their esters as herbicidal antidotes for the protection of cultivated plants CIBA-GEIGY AG (CH) 1983-08-24 EP disclosed