SCHEMBL7188346

SCHEMBL7188346

CC(C=CNc1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 4/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 2/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4C Q9H3R0 1/20 0.43
RECQL P46063 1/20 0.43
FABP4 P15090 2/20 0.41
DHODH Q02127 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 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
SCHEMBL9178959 1.00 KDM4E (0.52) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL9182538 1.00 KDM4E (0.52) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL7872330 0.87 KDM4E (0.51) KDM4EALDH1A1KMT2AMAPTPOLB
SCHEMBL7872331 0.87 KDM4E (0.51) KDM4EALDH1A1KMT2AMAPTPOLB
SCHEMBL9179311 0.78 KDM4E (0.49) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL9181580 0.78 HPGD (0.47) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL4591111 0.72 KDM4C (0.68) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL5583123 0.72 MAPT (0.59) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL29590040 0.72 KDM4C (0.68) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL28564932 0.72 KDM4C (0.68) KDM4EALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501031-B1 Perfuming agent FIRMENICH & CIE (CH) 1995-09-06 EP claimed
EP-0501031-A1 Perfuming agent FIRMENICH SA (CH) 1992-09-02 EP claimed
EP-1022265-B1 2-Indanemethanol derivatives and their use as perfuming ingredients FIRMENICH & CIE (CH) 2003-03-26 EP disclosed
EP-1022265-A1 2-Indanemethanol derivatives and their use as perfuming ingredients FIRMENICH SA (CH) 2000-07-26 EP disclosed
EP-0501031-B1 Perfuming agent FIRMENICH & CIE (CH) 1995-09-06 EP disclosed
US-5155095-A Reaction product of methyl anthranilate with 3-phenylbutanal; floral-green odor of yellow flower type FIRMENICH S.A. (CH) 1992-10-13 US disclosed
EP-0501031-A1 Perfuming agent FIRMENICH SA (CH) 1992-09-02 EP disclosed