SCHEMBL29952558

SCHEMBL29952558

CCOc1ccc(B(O)O)c(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NQO1 P15559 1/20 0.48
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
EPHX1 P07099 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 2/20 0.40
ESR2 Q92731 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3793494 1.00 KDM4E (0.53) KDM4ENQO1LTA4HALDH1A1TSHR
SCHEMBL29951950 0.89 KDM4E (0.46) KDM4ENQO1TSHRMEN1KMT2A
SCHEMBL3241115 0.89 KDM4E (0.46) KDM4ENQO1TSHRMEN1KMT2A
SCHEMBL24994751 0.89 CA1 (0.44) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL31119100 0.88 KDM4E (0.43) KDM4ENQO1LTA4HALDH1A1TSHR
SCHEMBL24994746 0.86 KDM4E (0.44) KDM4ENQO1LTA4HALDH1A1TSHR
SCHEMBL3786075 0.85 KDM4E (0.49) KDM4ENQO1LTA4HALDH1A1TSHR
SCHEMBL22208481 0.83 L3MBTL1 (0.44) KDM4ENQO1TSHRPOLB
SCHEMBL31697241 0.83 L3MBTL1 (0.44) KDM4ENQO1TSHRPOLB
SCHEMBL29956388 0.83 L3MBTL1 (0.44) KDM4ENQO1LTA4HALDH1A1TSHR

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-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 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