SCHEMBL19967702

SCHEMBL19967702

O=C(Cc1cccc(-c2csc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)c2)c1)OC(CS(=O)(=O)O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
MGLL Q99685 1/20 0.34
SYK P43405 1/20 0.32
MMP12 P39900 4/20 0.31
MMP13 P45452 1/20 0.31
GRIA2 P42262 1/20 0.31
RORC P51449 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NTRK1 P04629 1/20 0.30
ROCK2 O75116 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PRKACA P17612 1/20 0.30
CYP2C19 P33261 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL20009235 0.78 CETP (0.40) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL20012805 0.77 MEN1 (0.48) MEN1KMT2A
SCHEMBL20009236 0.77 CTBP2 (0.39) MEN1KMT2A
SCHEMBL18775770 0.76 TSHR (0.50) MEN1KMT2A
SCHEMBL18785341 0.73 HSD17B1 (0.38) ABL1HDAC6HSD17B1HSD17B2MMP12
SCHEMBL18775682 0.71 TSHR (0.41) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL25476058 0.68 MRGPRX4 (0.36) CYP2D6CYP2C9CYP2C19
SCHEMBL18775691 0.67 HPGD (0.41) MEN1KMT2A
SCHEMBL18775698 0.67 PDCD1 (0.50) HDAC6MEN1KMT2A
SCHEMBL18775712 0.66 KMT2A (0.38) KMT2A

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
US-10844257-B2 Adhesive composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-24 US disclosed
US-20190258160-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-22 US disclosed
US-20180072930-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-15 US disclosed