SCHEMBL14224029

SCHEMBL14224029

CC1CCC2(CC1=O)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13823413 0.73 POLB (0.31) POLBMAPT
SCHEMBL21243947 0.72 PTPN1 (0.31) POLBMAPTKMT2AALDH1A1
SCHEMBL31006809 0.71 OPRK1 (0.36) POLBMAPTKMT2AALDH1A1
SCHEMBL2377502 0.70 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL959131 0.70 MAPT (0.43) POLBMAPTCA1CA2CA4
SCHEMBL17459557 0.68 CA1 (0.32) CA1CA2CA4KMT2AALDH1A1
SCHEMBL1187321 0.68 CA1 (0.34) CA1CA2CA4KMT2A
SCHEMBL9971744 0.68 CA1 (0.34) CA1CA2CA4KMT2A
SCHEMBL22715962 0.67
SCHEMBL6294540 0.66 GPR119 (0.33)

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-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed