SCHEMBL434355

SCHEMBL434355

C[C](C)Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RIPK1 Q13546 2/20 0.41
MAPK8 P45983 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
P2RX7 Q99572 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DAO P14920 1/20 0.38
TRPA1 O75762 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL1699443 0.83 MAOB (0.51) IDO1AGXTMAOBKDM4ESMN1; SMN2
SCHEMBL9729674 0.80 IDO1 (0.47) IDO1AGXTMAOBKDM4ESMN1; SMN2
SCHEMBL4659435 0.80 IDO1 (0.43) IDO1AGXTMAOBKDM4ESMN1; SMN2
SCHEMBL434428 0.79 ERCC1 (0.41) IDO1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL6071928 0.79 L3MBTL1 (0.43) KDM4ESMN1; SMN2P2RX7ALDH1A1
SCHEMBL27707485 0.79 ALDH1A1 (0.40) IDO1AGXTMAOBALDH1A1
SCHEMBL27855541 0.79 AKR1B1 (0.36) IDO1MAOB
SCHEMBL1288294 0.78 IDO1 (0.48) IDO1AGXTMAOBKDM4ESMN1; SMN2
SCHEMBL29459931 0.77 TSHR (0.53) IDO1AGXTMAOBRIPK1MAPK8
SCHEMBL503325 0.77 TSHR (0.53) IDO1AGXTMAOBRIPK1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-5272268-A Dipeptide derivatives SHIONOGI & CO., LTD. (JP) 1993-12-21 US disclosed
US-5223615-A Hypotensive agents SHIONOGI & CO., LTD. (JP) 1993-06-29 US disclosed
US-5194608-A Hypotensive agents; inhibits renin-angiotensin system SHIONOGI & CO., LTD. (JP) 1993-03-16 US disclosed