SCHEMBL3132563

SCHEMBL3132563

C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43C)[C@@H]1CC[C@@H]2CCO

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.69
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
CYP1B1 Q16678 1/20 0.51
CYP17A1 P05093 2/20 0.51
TBXAS1 P24557 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SRD5A1 P18405 1/20 0.49
SRD5A2 P31213 1/20 0.49
ESR1 P03372 1/20 0.48
SHBG P04278 1/20 0.48
SERPINA6 P08185 1/20 0.48
AR P10275 1/20 0.48
ESR2 Q92731 1/20 0.48
G6PD P11413 1/20 0.47
DHCR24 Q15392 1/20 0.47

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
SCHEMBL11740332 0.89 CYP19A1 (0.67) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL11054544 0.88 CYP19A1 (0.65) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL5676587 0.87 CYP19A1 (0.70) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL606838 0.87 CYP19A1 (0.70) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL11057900 0.86 CYP19A1 (0.63) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL26964891 0.86 CYP19A1 (0.69) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL5489879 0.85 CYP19A1 (0.61) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL11683685 0.85 CYP19A1 (0.65) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL3706757 0.85 CYP19A1 (0.67) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1
SCHEMBL10920543 0.84 CYP19A1 (0.60) CYP19A1GRIN1GRIN2AGRIN2BCYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed