SCHEMBL3672476

SCHEMBL3672476

CCCCNC(=O)N(C)Cc1cccc(-c2cc(C(F)(F)F)ccc2[O])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 2/20 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 3/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
CASP6 P55212 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL3672481 0.90 MTOR (0.43) MTORMRGPRX4S1PR1HDAC3HDAC1
SCHEMBL1947830 0.85 PTGDR2 (0.55) MRGPRX4LTB4R2PTGDR2
SCHEMBL3667568 0.82 MGLL (0.42) S1PR1TACR1ALDH1A1LTB4R2SIRT2
SCHEMBL3668636 0.82 MTOR (0.64) MTORAOC3TACR1UBE2MDCUN1D1
SCHEMBL3671609 0.79 MLYCD (0.52) MTORHDAC3HDAC1HDAC2AOC3
SCHEMBL3666331 0.78 MTOR (0.47) MTORTACR1POLB
SCHEMBL3666874 0.76 ABHD6 (0.54) MTORAOC3TACR1ALDH1A1PTGDR2
SCHEMBL3671389 0.76 TACR1 (0.43) MTORTMEM97SIGMAR1TACR1LTB4R2
SCHEMBL3670881 0.76 PTGDR2 (0.44) S1PR1HDAC1ALDH1A1LTB4R2PTGDR2
SCHEMBL3666381 0.75 S1PR1 (0.43) S1PR1LMNAALDH1A1LTB4R2PTGDR2

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