SCHEMBL5029113

SCHEMBL5029113

CCCC(Cc1ccccc1)N(C(=O)O)C1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
UBE2M P61081 9/20 0.36
DCUN1D1 Q96GG9 9/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
GRIN2B Q13224 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL14880369 0.74
SCHEMBL2183970 0.74 C5AR1 (0.43) L3MBTL1LMNAALDH1A1HPGD
SCHEMBL13737664 0.73 SIGMAR1 (0.36) L3MBTL1ALOX5
SCHEMBL566741 0.69 AGER (0.49) L3MBTL1DCUN1D1LMNA
SCHEMBL29372829 0.69 UBE2M (0.42) UBE2MDCUN1D1
SCHEMBL785128 0.68 GRIN2B (0.60) ALDH1A1GRIN2B
SCHEMBL10320551 0.67 YTHDC1 (0.54) ALDH1A1GRIN2B
SCHEMBL385070 0.67 YTHDC1 (0.54) ALDH1A1GRIN2B
SCHEMBL11117786 0.66 OPRK1 (0.48) PKM
SCHEMBL16858848 0.66 LAP3 (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8

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-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed