SCHEMBL9166221

SCHEMBL9166221

COc1ccc(CSCC(C)(C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
ACE P12821 2/20 0.47
LDHA P00338 1/20 0.46
GAA P10253 1/20 0.46
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
EPHX1 P07099 1/20 0.45
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL7352199 0.88 SMN1; SMN2 (0.48) PPARAPPARGACELDHAGAA
SCHEMBL9171687 0.82 CYP2C19 (0.50) PPARAPPARGACEALDH1A1SMN1; SMN2
SCHEMBL3029296 0.78 PPARG (0.51) PPARAPPARGACELDHAGAA
SCHEMBL3801397 0.78 LDHA (0.53) PPARAPPARGLDHASMN1; SMN2FFAR1
SCHEMBL5757662 0.78 LDHA (0.49) PPARAPPARGACELDHAIDO1
SCHEMBL4413232 0.77 LDHA (0.51) PPARAPPARGLDHAALDH1A1SMN1; SMN2
SCHEMBL498480 0.77 CYP1A2 (0.67) PPARAPPARGACELDHAGAA
SCHEMBL28246723 0.77 LDHA (0.51) PPARAPPARGLDHAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6574400 0.76 IDO1 (0.49) PPARAPPARGACELDHAIDO1
SCHEMBL6085105 0.76 GAA (0.53) PPARAPPARGACEGAAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455833-B1 AMINO ACID DERIVATIVE SANTEN PHARMACEUTICAL CO LTD (JP) 1995-04-19 EP disclosed
US-5214181-A Immunodeficiency and autoimmune disease treatment SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-05-25 US disclosed
EP-0455833-A1 AMINO ACID DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-11-13 EP disclosed