SCHEMBL8565613

SCHEMBL8565613

COC(=O)CCC1CCC(N(CCO)C(=O)Nc2ccc3c(c2)CCN(C(=O)C(F)(F)F)CC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 5/20 0.39
MCHR1 Q99705 8/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
UBE2M P61081 4/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8565611 1.00 DCUN1D1 (0.39) DCUN1D1MCHR1ESR1ESR2MEN1
SCHEMBL8896160 0.95 MCHR1 (0.41) DCUN1D1MCHR1UBE2M
SCHEMBL8896148 0.95 MCHR1 (0.41) DCUN1D1MCHR1UBE2M
SCHEMBL7423187 0.86 ESR1 (0.39) DCUN1D1MCHR1ESR1ESR2UBE2M
SCHEMBL8898175 0.75 UBE2M (0.42) DCUN1D1MEN1LMNAKMT2AGPR55
SCHEMBL8564198 0.72 ESR1 (0.41) ESR1ESR2L3MBTL1KDM4E
SCHEMBL8564189 0.72 ESR1 (0.41) ESR1ESR2L3MBTL1KDM4E
SCHEMBL8567428 0.71 ESR1 (0.40) ESR1ESR2
SCHEMBL8567424 0.71 ESR1 (0.40) ESR1ESR2
SCHEMBL8897229 0.70 ESR1 (0.38) MCHR1ESR1ESR2MEN1LMNA

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 3 patents. 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
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed