SCHEMBL1563517

SCHEMBL1563517

C/C(=C\c1cccc(O)c1O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
IAPP P10997 5/20 0.56
AKR1C3 P42330 1/20 0.50
POLB P06746 3/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 1/20 0.46
NOX4 Q9NPH5 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41
THRB P10828 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL691674 1.00 ERN1 (0.57) ERN1IAPPAKR1C3POLBGAA
SCHEMBL208434 0.85 AKR1C3 (0.59) IAPPAKR1C3MAPTLMNACA1
SCHEMBL1137305 0.85 AKR1C3 (0.59) IAPPAKR1C3MAPTLMNACA1
SCHEMBL3422780 0.84 AKR1C3 (0.48) ERN1IAPPAKR1C3MAPTLMNA
SCHEMBL1094265 0.84 AKR1C3 (0.48) ERN1IAPPAKR1C3MAPTLMNA
SCHEMBL8669956 0.81 ERN1 (0.55) ERN1IAPPAKR1C3POLBGAA
Phenol SCHEMBL4607887 0.80 AKR1C3 (0.53) AKR1C3MAPTLMNATDP1CA1
SCHEMBL8746671 0.80 AKR1C3 (0.68) AKR1C3MAPTLMNAKDM4EAPEX1
SCHEMBL31666241 0.80 AKR1C3 (0.68) AKR1C3MAPTLMNAKDM4EAPEX1
SCHEMBL3893886 0.80 AKR1C3 (0.68) AKR1C3MAPTLMNAKDM4EAPEX1

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
EP-1173878-B1 PROBES FOR A GAS PHASE ION SPECTROMETER BIO RAD LABORATORIES (US) 2011-04-06 EP claimed
EP-0649063-B1 Matted radiation-sensitive recording material AGFA GEVAERT AG (DE) 1997-01-29 EP disclosed
EP-0649063-A1 Matted radiation-sensitive recording material HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-19 EP disclosed