SCHEMBL9683541

SCHEMBL9683541

COC(=O)CCCCNC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.56
EPHX2 P34913 6/20 0.51
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
ADRA1A P35348 1/20 0.45
PRMT1 Q99873 1/20 0.43

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
SCHEMBL19239219 0.98 TSHR (0.56) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL9683695 0.84 TSHR (0.57) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL18525833 0.83 EPHX1 (0.61) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL14507335 0.83 KDM4E (0.62) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL2771342 0.83 RECQL (0.63) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL29004439 0.82 TSHR (0.52) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL29004442 0.82 TSHR (0.52) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL6014001 0.81 EPHX1 (0.64) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL9002644 0.81 EPHX1 (0.64) TSHRLMNAEPHX2ALDH1A1RECQL
SCHEMBL130413 0.81 KDM4E (0.67) TSHRLMNAEPHX2ALDH1A1RECQL

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-0509795-A2 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-21 EP disclosed
US-5118678-A Antibody inhibitors, antiinflammatory agents, fungicides, antitumor agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed