SCHEMBL7944909

SCHEMBL7944909

COc1ccc2cc(-c3noc(CCC(=O)O)n3)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
ATM Q13315 1/20 0.64
MITF O75030 1/20 0.53
TP53 P04637 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
FFAR1 O14842 1/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
APP P05067 2/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7837657 0.81 ALDH1A1 (0.53) LMNAATMMITFTP53NCOA3
SCHEMBL1567346 0.78 LMNA (1.00) LMNAATMMITFTP53NCOA3
SCHEMBL6325724 0.78 LMNA (0.68) LMNAATMMITFTP53NCOA3
SCHEMBL6325644 0.78 LMNA (0.68) LMNAATMMITFTP53NCOA3
SCHEMBL333242 0.77 LMNA (0.67) LMNAATMMITFTP53NCOA3
SCHEMBL6324681 0.77 FFAR1 (0.75) LMNAATMMITFTP53NCOA3
SCHEMBL6327249 0.76 LMNA (0.76) LMNAATMMITFTP53NCOA3
SCHEMBL7829263 0.75 HPGD (0.46) LMNAATMMAPTALDH1A1POLB
SCHEMBL7818703 0.74 ALDH1A1 (0.64) LMNAATMTP53NCOA3FFAR1
SCHEMBL24332395 0.73 RXRA (0.54) LMNAATMTP53MAPTAPP

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-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed