SCHEMBL11075434

SCHEMBL11075434

COc1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
HTT P42858 1/20 0.58
PDE2A O00408 1/20 0.57
PDE3A Q14432 1/20 0.57
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 3/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL5456813 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL17513216 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ESMN1; SMN2GAA
SCHEMBL17304775 0.75 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL17664707 0.74 KDM4E (0.57) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL1333910 0.74 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL8409985 0.74 ITGB3 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4896972 0.73 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL4896977 0.73 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL11278425 0.73 HTT (0.59) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL11286791 0.73 HTT (0.59) ALDH1A1MEN1KMT2AATMHTT

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
US-4481207-A CALCIUM ANTAGONISTS, HYPOTENSIVES SYNTHELABO (FR) 1984-11-06 US disclosed