SCHEMBL29904015

SCHEMBL29904015

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2CCCO

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.71
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
CYP3A4 P08684 1/20 0.56
SHBG P04278 1/20 0.46

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
SCHEMBL24101855 0.97 CYP19A1 (0.69) CYP19A1LMNAMAPTCYP3A4SHBG
SCHEMBL10882654 0.94 CYP19A1 (0.70) CYP19A1LMNAMAPTCYP3A4
SCHEMBL4199850 0.85 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL14027916 0.85 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL4199851 0.85 CYP19A1 (0.71) CYP19A1LMNAMAPTCYP3A4
SCHEMBL9015138 0.84 CYP19A1 (0.69) CYP19A1LMNAMAPTCYP3A4
Acetone SCHEMBL9504391 0.84 CYP19A1 (0.69) CYP19A1LMNAMAPTCYP3A4
SCHEMBL10895875 0.84 CYP19A1 (0.69) CYP19A1LMNAMAPTCYP3A4
SCHEMBL12430769 0.83 CYP19A1 (1.00) CYP19A1LMNAMAPTCYP3A4SHBG
SCHEMBL4431797 0.83 CYP19A1 (1.00) CYP19A1LMNAMAPTCYP3A4SHBG

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
CN-115029368-A Gene engineering bacterium for producing dideoxy alcohol and application thereof 中国科学院上海高等研究院 2022-09-09 CN disclosed