SCHEMBL28042801

SCHEMBL28042801

CCCCCC(=O)CC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NAAA Q02083 2/20 0.44
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
AKR1B1 P15121 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
TSHR P16473 2/20 0.40
GPR84 Q9NQS5 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
TLR2 O60603 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2990381 0.92 NAAA (0.53) KMT2AMAPTNAAACES2CES1
SCHEMBL11625205 0.92 NAAA (0.53) KMT2AMAPTNAAACES2CES1
SCHEMBL19508699 0.92 NAAA (0.53) KMT2AMAPTNAAACES2CES1
SCHEMBL9978409 0.92 KMT2A (0.48) KMT2AMAPTNAAACES2CES1
SCHEMBL13485707 0.90 CYP1A2 (0.45) KMT2AMAPTNAAACES2CES1
SCHEMBL787945 0.88 CYP1A2 (0.48) KMT2AMAPTNAAACES2CES1
Thiophene SCHEMBL27522807 0.84 NAAA (0.40) KMT2AMAPTNAAACES2CES1
Thiophene SCHEMBL27504244 0.82 NAAA (0.41) KMT2AMAPTNAAAL3MBTL1TDP1
SCHEMBL11928089 0.82 GNAI3 (0.57) KMT2AMAPTCES2CES1L3MBTL1
SCHEMBL19500016 0.80 KMT2A (0.43) KMT2AMAPTNAAACES2CES1

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
CN-105143217-A Lactam compounds as ep4 receptor-selective agonists for use in the treatment of ep4-mediated diseases and conditions CAYMAN CHEMICAL CO INC 2015-12-09 CN disclosed