SCHEMBL7873208

SCHEMBL7873208

CN1CCCc2cc(OC(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.45
ESR1 P03372 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
ADORA1 P30542 1/20 0.45
ADRA1A P35348 1/20 0.45
NOTUM Q6P988 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ACHE P22303 2/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL2616321 0.80 HSD17B10 (0.60) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL30041535 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2817935 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL29868628 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2405526 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL14136359 0.76 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3171539 0.76 ACHE (0.71) MEN1KMT2AKDM4EACHESMN1; SMN2
SCHEMBL2405165 0.76 ACHE (0.58) ACHE
SCHEMBL29868981 0.76 ACHE (0.58) ACHE
SCHEMBL29868439 0.76 ACHE (0.58) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730597-B1 HETEROCYCLIC ESTERS OF RAPAMYCIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PROD (US) 2001-03-07 EP claimed