SCHEMBL4638246

SCHEMBL4638246

CCOC(=O)[C@H]1CCCN1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 9/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 5/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14315826 1.00 FKBP1A (0.46) FKBP1AMAPTALDH1A1RAB9AKDM4E
SCHEMBL26723979 1.00 FKBP1A (0.46) FKBP1AMAPTALDH1A1RAB9AKDM4E
SCHEMBL1911483 0.95 FKBP1A (0.51) FKBP1AMAPTALDH1A1KDM4ETSHR
SCHEMBL19215660 0.85 RAB9A (0.54) MAPTALDH1A1RAB9AKDM4ETSHR
SCHEMBL19737744 0.85 RAB9A (0.54) MAPTALDH1A1RAB9AKDM4ETSHR
SCHEMBL278662 0.81 TSHR (0.46) FKBP1ARAB9ATSHRSMN1; SMN2
SCHEMBL1684095 0.81 TSHR (0.46) FKBP1ARAB9ATSHRSMN1; SMN2
SCHEMBL13910188 0.81 TSHR (0.46) FKBP1ARAB9ATSHRSMN1; SMN2
SCHEMBL17244892 0.80 RAB9A (0.35) FKBP1AMAPTALDH1A1RAB9AKDM4E
SCHEMBL12767122 0.80 MAPT (0.40) MAPTALDH1A1RAB9AKDM4ETSHR

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-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed