SCHEMBL9219907

SCHEMBL9219907

CCCOC(=O)c1ccccc1S

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
TSHR P16473 8/20 0.61
TDP1 Q9NUW8 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
LMNA P02545 2/20 0.58
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
MAOB P27338 1/20 0.49
ESR1 P03372 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
MAPT P10636 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PDK2 Q15119 1/20 0.47

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
SCHEMBL2457943 0.90 TSHR (0.77) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9770250 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL59255 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9216592 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9770273 0.87 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL19066309 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL112063 0.87 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL30305694 0.85 TSHR (0.74) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL945371 0.85 TSHR (0.74) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9515564 0.84 TSHR (0.64) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847459-A External preparation and its manufacture method 积水化学工业株式会社 2018-03-27 CN disclosed
US-9470974-B2 Coloring composition, coloring radiation-sensitive composition, color filter and solid-state imaging device FUJIFILM CORPORATION (JP) 2016-10-18 US disclosed
US-9470974-B2 Coloring composition, coloring radiation-sensitive composition, color filter and solid-state imaging device FUJIFILM CORPORATION (JP) 2016-10-18 US disclosed
US-5455355-A Postemergence, preemergence herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-03 US disclosed
EP-0468690-B1 Pyrimidine derivatives SUMITOMO CHEMICAL CO (JP) 1995-05-31 EP disclosed
US-5298632-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
US-5232897-A Herbicidal pyrimidine compounds, compositions containing the same and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-03 US disclosed
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
US-5129938-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-14 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed
EP-0468690-A1 Pyrimidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-29 EP disclosed
EP-0457505-A2 Pyrimidine derivatives and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-21 EP disclosed
US-3984573-A ENHANCING CONCORD GRAPE FLAVOR GIVAUDAN CORPORATION (US) 1976-10-05 US disclosed