SCHEMBL3427875

SCHEMBL3427875

CC[As](Cc1ccc(OC)cc1-c1cc(Cl)cc(CC(=O)O)c1)C(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
PTGS1 P23219 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
HSD17B10 Q99714 1/20 0.34
CTSA P10619 3/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL135081 0.80 PTGDR2 (0.53) PTGDR2LMNACYP3A4
SCHEMBL3427879 0.77 THRA (0.38) THRATHRBPTGS1AKR1C3AKR1C2
SCHEMBL137342 0.72 PTGDR2 (0.46) CYP11B1CYP11B2PTGDR2MEN1ALDH1A1
SCHEMBL152766 0.70 CYP11B1 (0.36) THRBAKR1C3CYP11B1CYP11B2MEN1
SCHEMBL137882 0.70 TRPM8 (0.46) THRATHRBPTGDR2HSD17B10ALDH1A1
SCHEMBL137354 0.69 PTGDR2 (0.51) THRATHRBPTGDR2HSD17B10MEN1
SCHEMBL136380 0.68 CYP11B1 (0.42) THRBAKR1C3CYP11B1CYP11B2MEN1
SCHEMBL6367068 0.64 PTGS1 (0.51) THRATHRBPTGS1AKR1C3AKR1C2
SCHEMBL155266 0.63 ALDH1A1 (0.41) THRATHRBALDH1A1MAPT
SCHEMBL136371 0.62 CYP11B1 (0.44) AKR1C3CYP11B1CYP11B2CTSAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP claimed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed