SCHEMBL7748710

SCHEMBL7748710

NCCCCCC1(O)CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 0.44
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL596129 0.88 CYP2C19 (0.33) CPB2TSHR
SCHEMBL596557 0.88 CYP2C19 (0.33) CPB2TSHR
SCHEMBL9654521 0.85 RYR2 (0.33) CPB2TSHR
SCHEMBL596917 0.85 CYP2C19 (0.34) TSHR
SCHEMBL5037293 0.80 USP2 (0.33) CPB2LMNATSHRBLM
SCHEMBL26556792 0.80 USP2 (0.33) CPB2LMNATSHRBLM
SCHEMBL596112 0.80 CYP2C19 (0.34) TSHR
SCHEMBL10037414 0.79 CYP4F2 (0.44) LMNATSHR
SCHEMBL9435944 0.79 CYP4F2 (0.44) LMNATSHR
SCHEMBL9324695 0.79 CYP4F2 (0.44) LMNATSHR

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
WO-2001025195-A1 PROCESSES FOR PRODUCING EPSILON CAPROLACTAMS UNION CARBIDE CHEMICALS & PLASTICS (US) 2001-04-12 WO disclosed
WO-1999043287-A2 PHOSPHATE-BASED DENDRIMERS FOR BIOASSAYS BIOTRACES, INC. (US) 1999-09-02 WO disclosed