SCHEMBL17812602

SCHEMBL17812602

CCC(C)c1ccc(C(C)(O)C2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 1/20 0.39
RORC P51449 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL17812755 0.98 KMT2A (0.46) KMT2ANPSR1CYP2C9RORCCHRM2
SCHEMBL17812741 0.86 KMT2A (0.36) KMT2ANPSR1CYP2C9RORCCHRM2
SCHEMBL17812680 0.85 KMT2A (0.38) KMT2ANPSR1RORCCHRM2CYP2D6
SCHEMBL17812781 0.83 KMT2A (0.43) KMT2ANPSR1CYP2C9CHRM2CYP2D6
SCHEMBL19901112 0.82 CHRM2 (0.38) KMT2ACHRM2CYP2D6CHRM1KCNH2
SCHEMBL17812628 0.82 KMT2A (0.45) KMT2ANPSR1CHRM2CYP2D6CHRM1
SCHEMBL18802913 0.77 KMT2A (0.40) KMT2ANPSR1CYP2C9ALDH1A1
SCHEMBL18905316 0.76 KEAP1 (0.41) CHRM2CYP2D6CHRM1KCNH2ALDH1A1
SCHEMBL12040182 0.76 RORC (0.46) KMT2ANPSR1CYP2C9RORCALDH1A1
SCHEMBL17812629 0.76 NPSR1 (0.38) KMT2ANPSR1CYP2C9RORCALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9971245-B2 Silicon-containing polymer, silicon-containing compound, composition for forming a resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-15 US disclosed
US-9904172-B2 Shrink material and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-27 US disclosed
US-20160229939-A1 SILICON-CONTAINING POLYMER, SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160161850-A1 SHRINK MATERIAL AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed