SCHEMBL7944138

SCHEMBL7944138

CCCCCCOC(=O)c1cc(S(=O)(=O)O)cc(C(=O)O)c1CCCCCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.56
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR1 P03372 3/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7945499 1.00 S1PR3 (0.56) S1PR3TSHRALDH1A1LMNATP53
SCHEMBL7945443 0.93 S1PR3 (0.49) S1PR3TSHRALDH1A1LMNATP53
SCHEMBL1547662 0.83 TSHR (0.51) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL4317064 0.82 TSHR (0.50) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL4313090 0.81 TSHR (0.49) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6686085 0.81 TSHR (0.43) S1PR3TSHRALDH1A1LMNATP53
SCHEMBL8470113 0.79 ALDH1A1 (0.39) S1PR3TSHRALDH1A1TP53CYP3A4
SCHEMBL6928648 0.79 ALDH1A1 (0.39) S1PR3TSHRALDH1A1TP53CYP3A4
SCHEMBL316148 0.79 TSHR (0.51) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL316706 0.79 TSHR (0.51) TSHRALDH1A1LMNATP53CYP3A4

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-6191192-B1 URETHRAL CATHETERS, GLOVES TOYO BOSEKI KABUSHIKI KAISHA (JP) 2001-02-20 US disclosed
EP-0887373-A2 Antibacterial polymeric moldings Toyo Boseki Kabushiki Kaisha (JP) 1998-12-30 EP disclosed