Isopropylbenzene

Isopropylbenzene

SCHEMBL27939367

CC(C)c1ccccc1.CCNC(=O)/C=C/c1ccc(OC)c(OC)c1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
KDM4E B2RXH2 7/20 0.62
PKM P14618 3/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
STAT1 P42224 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
MAPT P10636 3/20 0.57
HPGD P15428 4/20 0.56
HTT P42858 1/20 0.56
NFE2L2 Q16236 1/20 0.55
TP53 P04637 3/20 0.55
CYP3A4 P08684 2/20 0.55
HIF1A Q16665 2/20 0.55
HSD17B10 Q99714 2/20 0.55

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
SCHEMBL9615338 0.88 NFE2L2 (0.70) ALDH1A1KDM4EPKMPOLBMEN1
SCHEMBL9615340 0.88 NFE2L2 (0.70) ALDH1A1KDM4EPKMPOLBMEN1
SCHEMBL9615339 0.88 NFE2L2 (0.70) ALDH1A1KDM4EPKMPOLBMEN1
Anisole SCHEMBL27939364 0.87 ALDH1A1 (0.66) ALDH1A1KDM4EPKMPOLBMEN1
Toluene SCHEMBL27951768 0.87 KDM4E (0.66) ALDH1A1KDM4EPKMPOLBMEN1
Ethylbenzene SCHEMBL27951882 0.86 ALDH1A1 (0.70) ALDH1A1KDM4EPKMPOLBMEN1
O-Xylene SCHEMBL27939363 0.86 KDM4E (0.64) ALDH1A1KDM4EPKMPOLBMEN1
Phenetole SCHEMBL27939415 0.84 MAPT (0.64) ALDH1A1KDM4EPKMPOLBMEN1
SCHEMBL27951881 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EPKMPOLBMEN1
SCHEMBL14360450 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EPKMPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103619195-B Taste changes product 弗门尼舍有限公司 2019-04-23 CN claimed
CN-103619195-B Taste changes product 弗门尼舍有限公司 2019-04-23 CN disclosed
CN-104883904-A Taste-modifying combinations FIRMENICH & CIE 2015-09-02 CN disclosed
CN-103619195-A Taste modifying product FIRMENICH & CIE 2014-03-05 CN disclosed