SCHEMBL14749067

SCHEMBL14749067

CCC(C)c1cccc2c(C(=O)OC3(C)CCCC3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
TSHR P16473 1/20 0.35
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SELPLG Q14242 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
GSK3B P49841 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ELANE P08246 1/20 0.30
CDC25B P30305 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
SCHEMBL14750844 0.90 SCN1A (0.34) SCN1ASCN2ASCN3ACYP19A1ADRB2
SCHEMBL15958400 0.86 CXCR5 (0.39) SCN1ASCN2ASCN3ATSHRKDM4E
SCHEMBL29319010 0.79 TSHR (0.33) TSHRADRB2ADRB1ADRB3HSP90AA1
SCHEMBL12014445 0.77 SCN1A (0.38) SCN1ASCN2ASCN3ACYP19A1KDM4E
SCHEMBL14826394 0.75 CXCR5 (0.34)
SCHEMBL25900279 0.75 MEN1 (0.35) SCN1ASCN2ASCN3ACYP19A1KDM4E
SCHEMBL3411398 0.73 SCN1A (0.54) SCN1ASCN2ASCN3ATSHRCYP19A1
SCHEMBL31077823 0.73 SCN1A (0.54) SCN1ASCN2ASCN3ATSHRCYP19A1
SCHEMBL13137703 0.72 HDAC4 (0.43) CYP19A1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL304215 0.72 SCN1A (0.52) SCN1ASCN2ASCN3ATSHRCYP19A1

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-8574816-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-11-05 US disclosed
US-20130056653-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-07 US disclosed