SCHEMBL27046793

SCHEMBL27046793

CC1(C)CC[C@H]2C3CCC4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ESR1 P03372 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
TP53 P04637 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
AGTR1 P30556 1/20 0.39
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SHBG P04278 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
Stanozolol SCHEMBL19645424 0.89 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
Stanozolol SCHEMBL6151066 0.89 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
Stanozolol SCHEMBL44099 0.89 CYP2C19 (0.64) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL21392304 0.88 CYP2C19 (0.49) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL27046803 0.86 CYP2C19 (0.45) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL27046806 0.86 CYP2C19 (0.45) CYP2C19ADORA3ESR1CYP2D6CYP2C9
SCHEMBL19625269 0.83 AR (0.52) CYP2C19CYP2C9LMNANR3C1PGR
SCHEMBL10269436 0.83 AR (0.52) CYP2C19CYP2C9LMNANR3C1PGR
SCHEMBL19634237 0.83 AR (0.52) CYP2C19CYP2C9LMNANR3C1PGR
SCHEMBL10158728 0.79 CYP2C19 (0.42) CYP2C19ADORA3ESR1CYP2D6CYP2C9

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-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed