SCHEMBL10985472

SCHEMBL10985472

Cc1ccc(C(=O)c2ccc(C(=O)OOC(C)(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TDP1 Q9NUW8 3/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 3/20 0.57
SRD5A2 P31213 2/20 0.50
ELANE P08246 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AKR1C3 P42330 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8896071 0.94 ALDH1A1 (0.69) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL476527 0.93 ALDH1A1 (0.71) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL27601087 0.89 ALDH1A1 (0.62) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL11126724 0.87 TSHR (0.80) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL2942675 0.86 ALDH1A1 (0.62) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL1660474 0.86 TDP1 (0.86) ALDH1A1TDP1TSHRHSD17B10LMNA
Benzophenone SCHEMBL10622042 0.84 TDP1 (0.89) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL2884831 0.84 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL10977275 0.83 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHSD17B10LMNA
SCHEMBL10977252 0.83 ALDH1A1 (0.59) ALDH1A1TDP1TSHRHSD17B10LMNA

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
US-4498963-A Photopolymerizable composition containing perester photoinitiator and photopolymerization process BOWLING GREEN STATE UNIVERSITY (US) 1985-02-12 US disclosed
US-4416826-A PHOTOINITIATORS FOR POLYMERIZATION OF ETHYLENICALLY UNSATURATED MATERIALS BOWLING GREEN STATE UNIVERSITY, AN EDUCATIONAL INSTITUTION OF OH. 1983-11-22 US disclosed