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SCHEMBL8559199

SCHEMBL8559199

COC(=O)CCC1(C2CCCCC2)NC(=O)N(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)CC3)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.39
▸ ESR2 Q92731 3/20 0.39
▸ BACE1 P56817 1/20 0.36
▸ ADAMTS5 Q9UNA0 14/20 0.34
▸ ADAMTS4 O75173 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MMP13 P45452 2/20 0.33
▸ MMP2 P08253 3/20 0.33
▸ ADAM17 P78536 1/20 0.33

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
Hydrochloric Acid SCHEMBL8565846 0.85 HTR6 (0.33) BACE1ADAMTS5ADAMTS4MMP13MMP2
SCHEMBL8563245 0.81 ESR1 (0.38) ESR1ESR2BACE1PDE4BPDE4D
SCHEMBL8559203 0.77 ESR1 (0.38) ESR1ESR2BACE1
SCHEMBL8561833 0.75 ESR1 (0.39) ESR1ESR2BACE1
SCHEMBL8559207 0.75 MAPT (0.43) ESR1ESR2
SCHEMBL8563246 0.73 ESR1 (0.39) ESR1ESR2BACE1
SCHEMBL8564687 0.73 ESR1 (0.38) ESR1ESR2BACE1PDE4BPDE4D
SCHEMBL8567196 0.72 ESR1 (0.39) ESR1ESR2PDE4BPDE4D
SCHEMBL8563251 0.72 ESR1 (0.39) ESR1ESR2PDE4BPDE4D
SCHEMBL8559448 0.72 ESR1 (0.39) ESR1ESR2PDE4BPDE4D

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-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 — — US disclosed