SCHEMBL16612741

SCHEMBL16612741

CCCCC(=O)CC(=O)C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.46
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PLA2G2A P14555 3/20 0.38
PLA2G5 P39877 3/20 0.38
MAPK1 P28482 2/20 0.37
FAAH O00519 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
CA2 P00918 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
TSHR P16473 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL28164796 0.88 HDAC1 (0.39) HAO1KMT2ACES2CES1PLA2G2A
SCHEMBL5528500 0.83 CES2 (0.46) KMT2ACES2CES1MAPK1FAAH
SCHEMBL2411791 0.83 CES2 (0.46) KMT2ACES2CES1MAPK1FAAH
SCHEMBL11685972 0.81 HAO1 (0.45) HAO1KMT2AMAPTCES2CES1
SCHEMBL534933 0.80 CES1 (0.58) HAO1KMT2AMAPTCES2CES1
SCHEMBL27634581 0.79 HAO1 (0.44) HAO1KMT2AMAPTCES2CES1
SCHEMBL16612661 0.79 TDP1 (0.41) ALDH1A1TP53ACE2
Hydrochloric Acid SCHEMBL29053917 0.78 CES1 (0.55) HAO1KMT2AMAPTCES2CES1
SCHEMBL30197621 0.78 CES1 (0.55) HAO1KMT2AMAPTCES2CES1
SCHEMBL30197707 0.78 CES1 (0.55) HAO1KMT2AMAPTCES2CES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857427-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2020-01-08 EP claimed
EP-2857427-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2015-04-08 EP claimed
EP-2857427-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2020-01-08 EP disclosed
EP-2857427-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2015-04-08 EP disclosed