SCHEMBL13660697

SCHEMBL13660697

C[C@H](N)Cc1ccc(O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.70
ALOX12 P18054 5/20 0.70
KDM4E B2RXH2 3/20 0.70
RECQL P46063 3/20 0.70
HIF1A Q16665 3/20 0.70
HSD17B10 Q99714 3/20 0.70
HTR2A P28223 3/20 0.70
MEN1 O00255 2/20 0.70
ALDH1A1 P00352 2/20 0.70
ESR1 P03372 2/20 0.70
TP53 P04637 2/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 2/20 0.70
MAPK1 P28482 2/20 0.70
KMT2A Q03164 2/20 0.70
SLC6A2 P23975 2/20 0.70
USP2 O75604 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
PTGS2 P35354 2/20 0.70
TDP1 Q9NUW8 2/20 0.70

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
SCHEMBL2562361 1.00 ALOX15 (0.70) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL633687 1.00 ALOX15 (0.70) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL29379558 1.00 ALOX15 (0.70) ALOX15ALOX12KDM4ERECQLHIF1A
Bromide SCHEMBL8622617 0.98 ALOX15 (0.68) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL29066826 0.85 ALOX15 (0.58) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL19342843 0.84 ALOX15 (0.71) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL892653 0.84 TAAR1 (0.57) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL26798590 0.84 ALOX15 (0.71) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL25711935 0.84 KDM4E (0.59) ALOX15ALOX12KDM4ERECQLHIF1A
SCHEMBL17244102 0.83 PLA2G1B (0.65) ALOX15ALOX12KDM4ERECQLHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117239137-A Positive electrode additive, positive electrode sheet containing positive electrode additive and secondary battery 宁德新能源科技有限公司 2023-12-15 CN disclosed
US-7608445-B1 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2009-10-27 US disclosed