SCHEMBL16628459

SCHEMBL16628459

S=C(S)N(c1cccc2c1ccc1ccccc12)c1cccc2c1ccc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.48
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
PAX8 Q06710 1/20 0.37
CYP1A2 P05177 3/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL3082138 0.89 SIGMAR1 (0.48) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL27992533 0.87 SIGMAR1 (0.47) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL27992308 0.87 SIGMAR1 (0.47) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL16628382 0.81 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Potassium Ion SCHEMBL16628672 0.81 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL16628391 0.81 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL16628399 0.81 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL17710553 0.80 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL16628462 0.80 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL13007114 0.79 SIGMAR1 (0.58) ALDH1A1SIGMAR1CYP1A2HPGDL3MBTL1

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
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
EP-2860170-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE Osaka Organic Chemical Ind., Ltd. (JP) 2015-04-15 EP disclosed