SCHEMBL2163618

SCHEMBL2163618

CC[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.68
STS P08842 4/20 0.63
HSD17B1 P14061 2/20 0.61
ESR1 P03372 9/20 0.59
ESR2 Q92731 8/20 0.57
HSD17B10 Q99714 4/20 0.57
LMNA P02545 4/20 0.57
PGR P06401 3/20 0.57
SERPINA6 P08185 3/20 0.57
AR P10275 3/20 0.57
SLC6A4 P31645 3/20 0.57
SNCA P37840 3/20 0.57
SLC6A3 Q01959 3/20 0.57
HIF1A Q16665 3/20 0.57
AKR1B10 O60218 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
AKR1B1 P15121 2/20 0.57
HTR2B P41595 2/20 0.57

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
SCHEMBL3974914 0.88 STS (0.65) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL9238193 0.85 SRD5A2 (0.54) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL6255026 0.84 STS (0.61) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL5677511 0.84 STS (0.61) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL5677777 0.84 STS (0.61) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL9242677 0.83 SHBG (0.58) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL10697240 0.82 STS (0.67) SHBGSTSHSD17B1ESR1HSD17B10
SCHEMBL2849680 0.82 STS (0.47) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL5677818 0.81 ESR1 (0.58) SHBGSTSHSD17B1ESR1ESR2
SCHEMBL712443 0.81 SHBG (1.00) SHBGSTSHSD17B1ESR1ESR2

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-8541158-B2 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-24 US disclosed
US-20110183262-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-28 US disclosed