SCHEMBL29325924

SCHEMBL29325924

CC1(C(=O)OC2CC3CCC2(C)C3(C)C)CC2CC1C1C3C=CC(C3)C21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 2/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL4974775 0.78 CYP3A4 (0.34) CYP2C19
SCHEMBL201674 0.78 CYP3A4 (0.32) ALDH1A1LMNA
SCHEMBL14521958 0.78 CYP3A4 (0.32) ALDH1A1LMNA
SCHEMBL30663526 0.77 CYP2C19 (0.36) CYP2C19
SCHEMBL29325920 0.74 MAPT (0.45) MAPTMAPK1KMT2ACYP19A1CYP2C19
SCHEMBL21553350 0.74 POLB (0.32) KMT2AALDH1A1LMNA
SCHEMBL30663532 0.74 LMNA (0.32) LMNA
SCHEMBL4976651 0.73 SCN1A (0.33)
SCHEMBL4980400 0.73 SMN1; SMN2 (0.34)
SCHEMBL8962150 0.73 MAPT (0.48) MAPTMAPK1KMT2ACYP19A1CYP2C19

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-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed
US-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed