SCHEMBL3672481

SCHEMBL3672481

CCCCNC(=O)N(C)Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
S1PR1 P21453 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38
AOC3 Q16853 2/20 0.38
CASP6 P55212 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HIF1A Q16665 1/20 0.36
PDK1 Q15118 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
SCHEMBL3672476 0.90 MTOR (0.43) MTORMRGPRX4S1PR1HDAC3HDAC1
SCHEMBL1947830 0.85 PTGDR2 (0.55) MRGPRX4LTB4R2
SCHEMBL3667571 0.82 MGLL (0.42) S1PR1TACR1LTB4R2THRATHRB
SCHEMBL3668638 0.82 MTOR (0.64) MTORAOC3TACR1POLB
SCHEMBL3666210 0.80 FSHR (0.40) MRGPRX4S1PR1HDAC3HDAC1HDAC2
SCHEMBL3671611 0.79 PDK1 (0.54) HDAC3HDAC1HDAC2TACR1PDK1
SCHEMBL3666332 0.78 MTOR (0.47) MTORTACR1POLB
SCHEMBL3671391 0.76 TACR1 (0.43) MTORTMEM97SIGMAR1TACR1LTB4R2
SCHEMBL3666876 0.76 ABHD6 (0.54) MTORAOC3TACR1ALDH1A1THRA
SCHEMBL3670884 0.76 PTGDR2 (0.44) S1PR1HDAC1ALDH1A1LTB4R2THRA

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-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 EP disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO disclosed