SCHEMBL28292513

SCHEMBL28292513

CC(C)(C)c1cccc(O)c1O.CC(C)(C)c1cccc(O)c1O.ClB(Cl)Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.64
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 1/20 0.56
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
ALOX12 P18054 2/20 0.46
ALOX15 P16050 4/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
CA1 P00915 2/20 0.44
ADAMTS4 O75173 1/20 0.44
EGFR P00533 1/20 0.44
FYN P06241 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CA6 P23280 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL36109 0.91 CA2 (0.76) CA2ALDH1A1TDP1TSHRGABRA1
SCHEMBL30504750 0.91 CA2 (0.76) CA2ALDH1A1TDP1TSHRGABRA1
SCHEMBL28292510 0.89 CA2 (0.67) CA2ALDH1A1TDP1TSHRGABRA1
Boric Acid SCHEMBL8594017 0.89 CA2 (0.67) CA2ALDH1A1TDP1TSHRGABRA1
SCHEMBL28294220 0.89 CA2 (0.73) CA2ALDH1A1TDP1TSHRGABRA1
Pyrogallol SCHEMBL5665901 0.89 CA2 (0.73) CA2ALDH1A1TDP1TSHRGABRA1
Ammonia Solution, Strong SCHEMBL30638319 0.89 CA2 (0.73) CA2ALDH1A1TDP1TSHRGABRA1
Methyl Alcohol SCHEMBL28510467 0.89 CA2 (0.73) CA2ALDH1A1TDP1TSHRGABRA1
Catechol SCHEMBL6791917 0.87 CA2 (0.70) CA2ALDH1A1TDP1TSHRGABRA1
Hydrochloric Acid SCHEMBL27996359 0.87 CA2 (0.70) CA2ALDH1A1TDP1TSHRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608484-A The quenching method of active metal sodium or lithium 沧州普瑞东方科技有限公司 2019-04-12 CN disclosed