SCHEMBL11301112

SCHEMBL11301112

O=C(OCCSc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.53
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 6/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL10345933 0.90 TDP1 (0.63) TDP1MAPK1TSHRL3MBTL1LMNA
SCHEMBL11301248 0.89 ALDH1A1 (0.47) TDP1MAPK1TSHRL3MBTL1ALDH1A1
SCHEMBL11299567 0.86 ELANE (0.51) TDP1MAPK1TSHRL3MBTL1LMNA
SCHEMBL11306067 0.84 ALDH1A1 (0.58) TDP1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL11239419 0.84 TDP1 (0.70) TDP1MAPK1TSHRL3MBTL1LMNA
SCHEMBL10346028 0.83 RAB9A (0.56) TDP1MAPK1TSHRL3MBTL1LMNA
SCHEMBL11306459 0.82 ALDH1A1 (0.50) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL11303953 0.82 THRB (0.50) TDP1MAPK1TSHRL3MBTL1LMNA
SCHEMBL17734430 0.81 TDP1 (0.85) TDP1MAPK1TSHRL3MBTL1LMNA
SCHEMBL10050686 0.81 ELANE (0.55) TDP1MAPK1TSHRL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005530-B1 NEW MERCAPTOPHENYLKETONES AND THEIR USE AS INITIATORS FOR THE PHOTOPOLYMERISATION OF ETHYLENICALLY UNSATURATED COMPOUNDS CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed
US-4279721-A Mercaptophenyl ketones as initiators for the photopolymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1981-07-21 US disclosed
EP-0005530-A1 New mercaptophenylketones and their use as initiators for the photopolymerisation of ethylenically unsaturated compounds CIBA-GEIGY AG (CH) 1979-11-28 EP disclosed