SCHEMBL28833017

SCHEMBL28833017

C=CCC.O=C(O)C(Cc1ccccc1)N(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
CPA1 P15085 2/20 0.40
CPA3 P15088 2/20 0.40
FOLH1 Q04609 1/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CYP2C19 P33261 2/20 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
Acrylic Acid SCHEMBL27896741 0.87 CYP1A2 (0.47) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL157789 0.87 CYP1A2 (0.57) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL157788 0.87 CYP1A2 (0.57) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL2466759 0.87 CYP1A2 (0.57) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
Chloromethane SCHEMBL28239478 0.85 CYP1A2 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
Water SCHEMBL28204086 0.85 CYP1A2 (0.55) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
Ammonia Solution, Strong SCHEMBL8346946 0.85 CYP1A2 (0.55) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL27996592 0.85 CYP1A2 (0.55) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
Methacrylic Acid SCHEMBL27879874 0.83 ALPI (0.47) CYP1A2SLC1A3SLC1A2SLC1A1ALPI
Diphenylmethane SCHEMBL27627447 0.82 CYP1A2 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1ALPI

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-105837540-B Method of the extraction with the sulphuretin and butein for inhibiting tyrosinase activity from lacquer tree wood powder 中国林业科学研究院林产化学工业研究所 2018-06-15 CN disclosed
CN-105837540-A Method for extracting sulphuretin and butein with tyrosinase inhibitory activity from wood powder of lacquer tree 中国林业科学研究院林产化学工业研究所 2016-08-10 CN disclosed