SCHEMBL13379634

SCHEMBL13379634

Oc1ccc(C2(c3ccc(O)cc3)CCC(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.47
ESR1 P03372 5/20 0.47
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
OPRM1 P35372 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9065614 0.84 ESR2 (0.44) ESR2ESR1ALDH1A1CYP3A4OPRM1
SCHEMBL11141715 0.81 ESR2 (0.44) ESR2ESR1ALDH1A1CYP3A4OPRM1
SCHEMBL12893332 0.81 ESR2 (0.47) ESR2ESR1OPRM1MEN1KMT2A
SCHEMBL1256648 0.81 ESR2 (0.47) ESR2ESR1OPRM1MEN1KMT2A
SCHEMBL20684752 0.81 ESR2 (0.47) ESR2ESR1ALDH1A1CYP3A4OPRM1
SCHEMBL12606716 0.77 ESR2 (0.44) ESR2ESR1ALDH1A1CYP3A4OPRM1
SCHEMBL157149 0.76 ESR2 (0.53) ESR2ESR1OPRM1MEN1KMT2A
SCHEMBL2248329 0.76 ESR2 (0.53) ESR2ESR1ALDH1A1CYP2C9
SCHEMBL45831 0.76 ESR2 (0.53) ESR2ESR1CYP3A4OPRM1GRIN2D
SCHEMBL2498416 0.76 ESR2 (0.53) ESR2ESR1ALDH1A1CYP3A4OPRM1

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-8338078-B2 Photoresist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100104977-A1 PHOTORESIST UNDERCOAT-FORMING MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed