SCHEMBL7293108

SCHEMBL7293108

[CH2]c1ccccc1OC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
SRC P12931 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9881101 0.82 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL7855959 0.78 ADRA2B (0.36) ALDH1A1CA12CA1CA2CA4
SCHEMBL5139573 0.73 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL3232505 0.71 ALDH1A1 (0.35) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL54889 0.71 LMNA (0.47) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL96749 0.71 TSHR (0.44) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL7598649 0.71 ALDH1A1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL95849 0.71 NFE2L2 (0.39) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL22516396 0.71 ALDH1A1 (0.35) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL5077616 0.71 CA2 (0.50) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0112135-B1 BROMINATION OF CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed
US-4468514-A Preparation of 3-bromocephalosporins from thiazoline azetidinones ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0112135-A2 Bromination of cephalosporins ELI LILLY AND COMPANY (US) 1984-06-27 EP disclosed