SCHEMBL3933452

SCHEMBL3933452

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.46
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.43
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL27768126 0.83 DRD3 (0.38) FKBP1AALDH1A1NPC1MAPTHPGD
SCHEMBL3933032 0.82 ALDH1A1 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL3941700 0.82 BCL9 (0.54) ALDH1A1HPGDSMN1; SMN2GAALMNA
SCHEMBL3939587 0.82 DRD3 (0.47) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL3930804 0.81 DRD2 (0.46) FKBP1AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3936225 0.78 BCL9 (0.48) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL3935721 0.78 PTGDR2 (0.51) POLBBCL9CTNNB1
SCHEMBL27746990 0.78 ALDH1A1 (0.39) ALDH1A1POLBDRD2DRD1DRD4
SCHEMBL3932402 0.77 CNR1 (0.52) BCL9CTNNB1
SCHEMBL3938369 0.77 AKR1C3 (0.60) ALDH1A1MAPTHPGDLMNABCL9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP claimed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO claimed
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed