SCHEMBL24103254

SCHEMBL24103254

COC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.67
▸ SERPINA6 P08185 2/20 0.67
▸ SLC22A1 O15245 1/20 0.67
▸ SHBG P04278 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ HIF1A Q16665 2/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ CYP19A1 P11511 2/20 0.55
▸ PGR P06401 2/20 0.52
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL6445859 1.00 MAPT (0.69) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL13804528 0.90 MAPT (0.71) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL13177160 0.90 MAPT (0.71) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL2930366 0.90 MAPT (0.71) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL3458086 0.90 MAPT (0.71) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL17302789 0.90 MAPT (0.71) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL9473555 0.89 MAPT (0.69) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL24103304 0.89 MAPT (0.69) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL7993010 0.89 MAPT (0.66) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL21067996 0.88 MAPT (0.84) MAPTLMNAALDH1A1SERPINA6SLC22A1

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
WO-2021252761-A2 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-16 — — WO disclosed
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