SCHEMBL9448477

SCHEMBL9448477

CC(C)(c1ccc(OC(=O)C2CC3C=CC2C3)cc1)c1ccc(OC(=O)C2CC3C=CC2C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL10099684 0.84 ALDH1A1 (0.47) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL15947780 0.83 ALDH1A1 (0.52) ALDH1A1HPGDLMNAKMT2APOLB
SCHEMBL4398747 0.82 ALDH1A1 (0.47) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL11339493 0.81 LMNA (0.46) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL11348296 0.81 ALDH1A1 (0.44) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL13888468 0.81 ALDH1A1 (0.44) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL201849 0.81 ALDH1A1 (0.51) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL17843609 0.79 ALDH1A1 (0.44) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL4107319 0.79 KMT2A (0.47) ALDH1A1HPGDLMNAKDM4EKMT2A
SCHEMBL10099666 0.78 ALDH1A1 (0.43) ALDH1A1HPGDLMNAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325617-B1 THIOLENE COMPOSITIONS BASED ON BICYCLIC 'ENE COMPOUNDS LOCTITE CORPORATION (US) 1993-04-28 EP disclosed
EP-0338616-A1 Thiolene compositions based on bicyclic 'ene compounds LOCTITE CORPORATION (US) 1989-10-25 EP disclosed
EP-0325617-A1 THIOLENE COMPOSITIONS BASED ON BICYCLIC 'ENE COMPOUNDS. LOCTITE CORP (US) 1989-08-02 EP disclosed
US-4808638-A CROSSLINKING WITH POLYMERCAPTANS LOCTITE CORPORATION (US) 1989-02-28 US disclosed
WO-1988002902-A2 THIOLENE COMPOSITIONS BASED ON BICYCLIC 'ENE COMPOUNDS LOCTITE CORPORATION (US) 1988-04-21 WO disclosed