SCHEMBL6028474

SCHEMBL6028474

CCCCCCCCCC(Br)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.45
CSNK1E P49674 1/20 0.45
CNR2 P34972 1/20 0.41
CTRC Q99895 1/20 0.41
DNM1 Q05193 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL8083245 0.93 PTGES (0.42) CETPCSNK1ECNR2
SCHEMBL3359525 0.86 TSHR (0.41) CETP
SCHEMBL28089418 0.83 CETP (0.49) CETPCSNK1ECNR2CTRC
SCHEMBL9574239 0.81 KCNH2 (0.48) CSNK1E
SCHEMBL10435902 0.81 CETP (0.46) CETPCSNK1ECNR2CTRC
SCHEMBL31470624 0.81 ALDH1A1 (0.49) CETPCSNK1ECNR2CTRCDNM1
SCHEMBL27277461 0.81 ALDH1A1 (0.49) CETPCSNK1ECNR2CTRCDNM1
SCHEMBL6685008 0.81 ALDH1A1 (0.49) CETPCSNK1ECNR2CTRCDNM1
SCHEMBL23857754 0.80 CSNK1E (0.53) CETPCSNK1ECNR2CTRC
SCHEMBL31548009 0.80 CSNK1E (0.53) CETPCSNK1ECNR2CTRC

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-1701930-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND RELATED INTERMEDIATES IN SUCH PROCESS DSM IP Assets B.V. (NL) 2006-09-20 EP disclosed
WO-2005047223-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND RELATED INTERMEDIATES IN SUCH PROCESS DSM IP ASSETS B.V. (NL) 2005-05-26 WO disclosed