SCHEMBL12014445

SCHEMBL12014445

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CYP19A1 P11511 1/20 0.35
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CDC25B P30305 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL12014441 0.86 ADRB2 (0.31) ADRB2ADRB1ADRB3TDP1ADORA3
SCHEMBL29319792 0.78 ADORA3 (0.32) ADORA3
SCHEMBL14749067 0.77 SCN1A (0.37) SCN1ASCN2ASCN3ACYP19A1ADRB2
SCHEMBL31077823 0.74 SCN1A (0.54) SCN1ASCN2ASCN3ACYP19A1TDP1
SCHEMBL3411398 0.74 SCN1A (0.54) SCN1ASCN2ASCN3ACYP19A1TDP1
SCHEMBL31192379 0.73 SCN1A (0.52) SCN1ASCN2ASCN3ACYP19A1TDP1
SCHEMBL304215 0.73 SCN1A (0.52) SCN1ASCN2ASCN3ACYP19A1TDP1
SCHEMBL14750844 0.72 SCN1A (0.34) SCN1ASCN2ASCN3ACYP19A1ADRB2
SCHEMBL29319752 0.72 MAOB (0.40) CYP19A1TDP1ADORA3ALDH1A1
SCHEMBL28350401 0.71 SCN1A (0.33) SCN1ASCN2ASCN3A

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-8778592-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-15 US disclosed
US-20120220112-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-30 US disclosed