SCHEMBL4827205

SCHEMBL4827205

O=C(O)c1cccc(C(=O)O)c1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
ACMSD Q8TDX5 2/20 0.50
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCC1 P33527 2/20 0.42
CXCR5 P32302 1/20 0.42
DHODH Q02127 1/20 0.41
SERPINE1 P05121 1/20 0.41
GAA P10253 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 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
SCHEMBL6138696 0.91 KMO (0.45) KMOACMSDALDH1A1ALOX15KMT2A
SCHEMBL1500383 0.90 ALDH1A1 (0.50) ALDH1A1ALOX15KDM4ESMN1; SMN2TSHR
SCHEMBL9508386 0.89 KMO (0.46) KMOACMSDALDH1A1ALOX15KMT2A
SCHEMBL28140772 0.89 KMO (0.46) KMOACMSDALDH1A1ALOX15KMT2A
SCHEMBL18091802 0.88 KMO (0.45) KMOACMSDALDH1A1ALOX15KMT2A
SCHEMBL18304680 0.88 CXCR5 (0.55) KMOACMSDALDH1A1KMT2AKDM4E
SCHEMBL18304683 0.88 CXCR5 (0.55) KMOACMSDALDH1A1KMT2AKDM4E
SCHEMBL7534063 0.88 TSHR (0.50) KMOACMSDALDH1A1KMT2ASMN1; SMN2
SCHEMBL812111 0.88 ACMSD (0.53) KMOACMSDKMT2AKDM4ESMN1; SMN2
SCHEMBL9306107 0.85 ALDH1A1 (0.52) KMOACMSDALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
EP-2576674-B1 PROCESS FOR MAKING EXPANDABLE COMPOSITIONS BASED ON STYRENEPOLYMER BASF SE (DE) 2014-08-27 EP disclosed
EP-2576674-A1 METHOD FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2013-04-10 EP disclosed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed