SCHEMBL2561177

SCHEMBL2561177

Cc1ccc(C(=O)CC=O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
ALDH1A1 P00352 5/20 0.46
POLB P06746 3/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 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
SCHEMBL21230213 0.83 DAO (0.52) DAOALDH1A1POLBCASP3SENP8
SCHEMBL15979700 0.79 DAO (0.61) DAOALDH1A1POLBCASP3SENP8
SCHEMBL2560159 0.78 ALDH1A1 (0.49) ALDH1A1POLBHPGDKMT2ATDP1
SCHEMBL4140001 0.78 DAO (0.59) DAOALDH1A1POLBCASP3SENP8
SCHEMBL9372669 0.78 DAO (0.59) DAOALDH1A1POLBCASP3SENP8
SCHEMBL2560759 0.77 GSK3B (0.63) DAOALDH1A1POLBCASP3SENP8
SCHEMBL279619 0.77 DAO (0.59) DAOALDH1A1POLBCASP3SENP8
SCHEMBL2558847 0.77 GSK3B (0.63) DAOALDH1A1POLBHPGDKMT2A
SCHEMBL22721115 0.76 DAO (0.57) DAOALDH1A1POLBCASP3SENP8
SCHEMBL6394534 0.76 GSK3B (0.62) DAOALDH1A1POLBCASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409676-A Preparation method for synthesizing chiral beta-hydroxy propanal ethylene glycol with high enantioselectivity 贵州金之键高科技材料股份有限公司 2025-02-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed