SCHEMBL7767069

SCHEMBL7767069

C=CSC(=O)c1cccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
TRPA1 O75762 2/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1B10 O60218 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL7772628 0.85 L3MBTL1 (0.44) KMT2ALMNAMEN1HSD17B10KDM4E
SCHEMBL775678 0.79 ESR1 (0.47) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL29026507 0.77 ESR1 (0.50) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL28212395 0.76 ESR1 (0.45) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL29272521 0.73 ESR1 (0.46) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL2094362 0.72 ESR1 (0.49) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL29515031 0.72 KMT2A (0.52) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL9864607 0.72 ESR1 (0.52) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL310386 0.72 KMT2A (0.52) ESR1ESR2KMT2ACYP3A4LMNA
SCHEMBL7770875 0.71 MEN1 (0.44) ESR1ESR2KMT2ACYP3A4LMNA

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-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed