SCHEMBL28030331

SCHEMBL28030331

Nc1ccccc1C(=O)Oc1ccccc1.O=C(O)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
HSD17B10 Q99714 11/20 0.59
KDM4E B2RXH2 5/20 0.59
HPGD P15428 4/20 0.59
GLA P06280 2/20 0.59
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
CFTR P13569 1/20 0.55
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL444509 0.94 HSD17B10 (0.64) ALDH1A1HSD17B10KDM4EHPGDGLA
Ethylene SCHEMBL27559872 0.91 HSD17B10 (0.60) ALDH1A1HSD17B10KDM4EHPGDGLA
Methyl Alcohol SCHEMBL28862398 0.91 HSD17B10 (0.65) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL9861291 0.89 HSD17B10 (0.71) ALDH1A1HSD17B10KDM4EHPGDGLA
Formic Acid SCHEMBL27480797 0.86 HSD17B10 (0.56) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL4249090 0.84 HSD17B10 (0.61) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL9861954 0.84 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL6430896 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL9861871 0.83 HSD17B10 (0.60) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL7085799 0.83 MAPT (0.56) ALDH1A1HSD17B10KDM4EHPGDGLA

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
CN-108699493-A Detergent composition 狮王株式会社 2018-10-23 CN disclosed
CN-104937149-A Polyurethane fiber TORAY OPELONTEX CO LTD 2015-09-23 CN disclosed
CN-104812256-A Disintegrable capsule, manufacturing method for same, and smoking equipment containing disintegrable capsule SUNSHO PHARMACEUTICAL CO LTD 2015-07-29 CN disclosed