SCHEMBL7619692

SCHEMBL7619692

CC(=O)CC(=O)C(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.53
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
NAAA Q02083 2/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BCAT2 O15382 1/20 0.42
ALB P02768 1/20 0.41
CYP2C9 P11712 1/20 0.41
PCSK7 Q16549 1/20 0.41
HSD17B10 Q99714 1/20 0.41
VKORC1 Q9BQB6 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3654892 0.82 HSD11B1 (0.50) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL2443856 0.80 MTNR1A (0.46) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL156143 0.79 LMNA (0.58) LMNAMAPK1HPGDCES2CES1
SCHEMBL8916370 0.79 LMNA (0.58) LMNAMAPK1HPGDCES2CES1
SCHEMBL12824633 0.79 LMNA (0.58) LMNAMAPK1HPGDCES2CES1
SCHEMBL11683948 0.78 CES2 (0.55) LMNAHPGDCES2CES1MTNR1A
SCHEMBL10711299 0.78 MTNR1A (0.44) LMNAMTNR1AMTNR1BKMT2AKDM4E
SCHEMBL18218763 0.77 LMNA (0.60) LMNAMAPK1HPGDCES2CES1
SCHEMBL5318746 0.77 LMNA (0.60) LMNAMAPK1HPGDCES2CES1
SCHEMBL18218799 0.77 LMNA (0.60) LMNAMAPK1HPGDCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365709-B1 POST TREATMENT OF POLYMERS TO REMOVE MONOMERS WITH OXIDATION BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US claimed
US-6444785-B1 CROSSLINKING WATER SWELLABLE POLYMER; REDOX SYSTEMS BASF AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6365709-B1 POST TREATMENT OF POLYMERS TO REMOVE MONOMERS WITH OXIDATION BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed