SCHEMBL10348183

SCHEMBL10348183

CC(=O)/C(=C\c1ccccc1)OCC(=O)O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
AKR1C3 P42330 1/20 0.46
PAM P19021 1/20 0.42
AKR1C1 Q04828 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FBP1 P09467 1/20 0.39
NR1I2 O75469 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL10348187 0.97 RECQL (0.51) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL27459225 0.82 MEN1 (0.50) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL28209176 0.78 LMNA (0.46) RECQLMEN1KMT2AALDH1A1PAM
SCHEMBL5047540 0.77 RECQL (0.55) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL7298993 0.77 RECQL (0.55) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL7298723 0.74 AKR1C3 (0.50) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL7298719 0.74 AKR1C3 (0.50) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL10698386 0.72 AKR1C3 (0.48) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL10698378 0.72 AKR1C3 (0.48) RECQLMEN1KMT2AALDH1A1TSHR
SCHEMBL27420730 0.72 RECQL (0.50) RECQLMEN1KMT2AALDH1A1TSHR

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-0223373-B1 WATER-SOLUBLE PHOTOINITIATORS AUTOTYPE INTERNATIONAL LIMITED (GB) 1990-04-18 EP disclosed
US-4824765-A DIBENZALKETONES AUTOTYPE INTERNATIONAL LIMITED, A BRITISH CO. (GB) 1989-04-25 US disclosed
EP-0223373-A1 Water-soluble photoinitiators AUTOTYPE INTERNATIONAL LIMITED (GB) 1987-05-27 EP disclosed