SCHEMBL9617823

SCHEMBL9617823

CCC1(C)Cc2ccc(C=O)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A3 P47895 6/20 0.33
ALDH3A1 P30838 4/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
FDPS P14324 1/20 0.30
PTGER4 P35408 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGS2 P35354 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9679204 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1ALDH1A3ALDH3A1
SCHEMBL309778 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1ALDH1A3MEN1
SCHEMBL31217558 0.78 AKT1 (0.45) ALDH1A1HSD17B10TDP1GAAMAPT
SCHEMBL21623026 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1ALDH1A3ALDH3A1
SCHEMBL19030772 0.76 MAP3K14 (0.43)
SCHEMBL9678659 0.76 AHR (0.34) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL30340334 0.72 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1ALDH1A3MEN1
SCHEMBL5508716 0.72 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1MEN1GAA
SCHEMBL6156507 0.72 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1ALDH1A3MEN1
SCHEMBL2558135 0.68 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1MEN1GAA

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
JP-4270277-A None JP disclosed
JP-H04270277-A 2,3-DIHYDROBENZOFURYLMETHYL ESTER, ITS PREPARATION AND INSECTICIDAL AGENT CONTAINING THE SAME BASF AG 1992-09-25 JP disclosed
EP-0473041-A1 2,3-Dihydrobenzofurylmethylesters, their preparation and compositions containing these for combatting parasites BASF Aktiengesellschaft (DE) 1992-03-04 EP disclosed