SCHEMBL10656206

SCHEMBL10656206

CC(C)CCC[C@H](C)[C@H](Cl)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.41
LMNA P02545 1/20 0.37
CA1 P00915 2/20 0.33
PTPN1 P18031 1/20 0.31
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL10655943 0.83 BLM (0.50) BLMLMNACA1KDM4CKDM4A
SCHEMBL10655950 0.83 BLM (0.50) BLMLMNACA1KDM4CKDM4A
SCHEMBL27458546 0.78 BLM (0.60) BLMLMNACA1PTPN1KDM4C
SCHEMBL28455451 0.78 BLM (0.60) BLMLMNACA1PTPN1KDM4C
SCHEMBL28455377 0.76 BLM (0.58) BLMLMNAPTPN1KDM4CKDM4A
SCHEMBL28337237 0.75 BLM (0.47) BLMLMNACA1PTPN1
SCHEMBL8542664 0.72
SCHEMBL9405652 0.72
SCHEMBL9405651 0.72
SCHEMBL4971007 0.72

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
EP-0257048-A1 OPTICALLY ACTIVE COMPOUNDS. MERCK PATENT GMBH (DE) 1988-03-02 EP disclosed
WO-1987005018-A2 OPTICALLY ACTIVE COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 WO disclosed