SCHEMBL8698745

SCHEMBL8698745

CC(C1CC(CCCc2ccccc2)CCN1)n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP17A1 P05093 3/20 0.34

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
SCHEMBL8701879 0.81 ALDH1A1 (0.37)
Hydrochloric Acid SCHEMBL8701141 0.80 ALDH1A1 (0.36)
SCHEMBL8696472 0.77 SIGMAR1 (0.44) CYP24A1
SCHEMBL8698749 0.74 HMOX1 (0.41) CYP19A1
SCHEMBL8698574 0.69 CYP17A1 (0.41) CYP17A1
Hydrochloric Acid SCHEMBL8698582 0.68 CYP17A1 (0.41) CYP17A1
SCHEMBL8698467 0.68 SIGMAR1 (0.41) CYP17A1
SCHEMBL11214326 0.67 CYP17A1 (0.33) CYP19A1CYP17A1
SCHEMBL8695800 0.67 SIGMAR1 (0.41) CYP24A1
SCHEMBL8696333 0.66 CYP17A1 (0.43) CYP24A1CYP17A1

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-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed