SCHEMBL7872331

SCHEMBL7872331

COC(=O)c1ccccc1NC=CC(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 3/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GLA P06280 1/20 0.44
HSD17B10 Q99714 4/20 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
SCHEMBL7872330 1.00 KDM4E (0.51) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL9178959 0.87 KDM4E (0.52) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7188346 0.87 KDM4E (0.52) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL9182538 0.87 KDM4E (0.52) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL28929783 0.77 KDM4E (0.56) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL29483352 0.74 KDM4E (0.65) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL2442267 0.74 KDM4E (0.65) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL2636852 0.74 KDM4E (0.45) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL21802957 0.74 KDM4E (0.45) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL30754347 0.74 KDM4E (0.45) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501031-B1 Perfuming agent FIRMENICH & CIE (CH) 1995-09-06 EP claimed
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 claimed
JP-5065256-A None JP disclosed
US-6323173-B1 COMPOUNDS WHICH DEVELOP FRESH, HUMIC, VERY PLEASANT FRAGRANCE OF LILY OF THE VALLEY TYPE; GOOD STABILITY AND EXCELLENT TENACITY FIRMENICH SA (CH) 2001-11-27 US disclosed
JP-H0565256-A METHOD TO IMPART, IMPROVE, ENHANCE OR CORRECT FRAGRANCE CHARACTERISTIC OF COMPOSITION, COMPOUND PERFUME AND FRAGRANCE PRODUCT, COMPOUND PERFUME AND FRAGRANCE PRODUCT, AND NEW COMPOUND FIRMENICH SA 1993-03-19 JP disclosed