SCHEMBL16902820

SCHEMBL16902820

Oc1ccc(C(c2ccc(O)cc2)C2CCc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
HSD11B1 P28845 1/20 0.42
PIN1 Q13526 1/20 0.39
IDO1 P14902 2/20 0.39
PDPK1 O15530 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL7221545 0.81 ALDH1A1 (0.46)
Methyl Alcohol SCHEMBL14815578 0.75 PRCP (0.49) IDO1PDPK1
SCHEMBL19838830 0.75 PDPK1 (0.47) IDO1PDPK1
SCHEMBL30298337 0.74 PRCP (0.52) IDO1PDPK1
SCHEMBL835606 0.74 PRCP (0.52) IDO1PDPK1
SCHEMBL30298334 0.74 PRCP (0.52) IDO1PDPK1
SCHEMBL7678037 0.72 PDPK1 (0.44) PIN1IDO1PDPK1
SCHEMBL11498923 0.72 HTR2A (0.52) IDO1PDPK1
SCHEMBL5748401 0.72 PDPK1 (0.47) IDO1PDPK1
SCHEMBL21465991 0.72 PDPK1 (0.47) IDO1PDPK1

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-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-9310681-B2 Negative resist composition and patterning process using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed
US-20150198883-A1 NEGATIVE RESIST COMPOSITION AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-07-16 US disclosed