SCHEMBL7513675

SCHEMBL7513675

CC(=O)/C=C/Sc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
PLIN1 O60240 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL7513683 1.00 EPHX1 (0.45) EPHX1MAPTALDH1A1LMNANPSR1
SCHEMBL22701935 0.82 CCNC (0.45) EPHX1MAPTALDH1A1LMNANPSR1
SCHEMBL7516071 0.80 ALDH1A1 (0.63) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL7516062 0.80 ALDH1A1 (0.63) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL21224118 0.76 APP (0.43) EPHX1MAPTALDH1A1LMNANPSR1
SCHEMBL7515806 0.72 UGT2B7 (0.46) EPHX1MAPTLMNAMEN1KMT2A
SCHEMBL8670880 0.72 EPHX1 (0.51) EPHX1MAPTALDH1A1LMNAMEN1
SCHEMBL2887144 0.71 GLA (0.60) MAPTMEN1KMT2ARELACYP1A2
SCHEMBL29931049 0.71 GLA (0.60) MAPTMEN1KMT2ARELACYP1A2
SCHEMBL2887149 0.71 GLA (0.60) MAPTMEN1KMT2ARELACYP1A2

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
EP-0801057-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS SUNTORY LTD (JP) 2002-01-16 EP disclosed
US-6049009-A REDUCING A TRANS-VINYLSULFIDE KETONE COMPOUND WITH BORANE REDUCING AGENT IN PRESENCE OF OPTICALLY ACTIVE OXAZABOROLIDINE COMPOUND AND A SULFIDE COMPOUND SELECTED FROM DIMETHYLSULFIDE, METHYLPHENYLSULFIDE, DIPHENYLSULFIDE, DI-N-BUTYLSULFIDE SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0801057-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE TRANS-VINYL SULFIDE ALCOHOLS SUNTORY LIMITED (JP) 1997-10-15 EP disclosed