SCHEMBL3933032

SCHEMBL3933032

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
HSD17B10 Q99714 2/20 0.52
LMNA P02545 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL3930804 0.89 DRD2 (0.46) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL3930618 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL3941700 0.87 BCL9 (0.54) ALDH1A1HSD17B10LMNASMN1; SMN2MEN1
SCHEMBL3939587 0.86 DRD3 (0.47) ALDH1A1POLB
SCHEMBL3933831 0.85 DRD3 (0.47) SMN1; SMN2MEN1HTTKMT2A
Chlorobenzene SCHEMBL27747084 0.83 DRD3 (0.39) ALDH1A1HSD17B10POLB
Ethylbenzene SCHEMBL27747179 0.83 DRD3 (0.41) ALDH1A1HSD17B10MAPTSMN1; SMN2HTT
Fluorobenzene SCHEMBL27747102 0.83 TSHR (0.41) ALDH1A1HSD17B10LMNAMEN1KMT2A
1,2-Dichlorobenzene SCHEMBL27768082 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL3935721 0.82 PTGDR2 (0.51) POLB

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