SCHEMBL27458341

SCHEMBL27458341

Cc1cc(C(=O)C=O)c2c(O)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
DNMT1 P26358 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
INPPL1 O15357 1/20 0.36
NSD2 O96028 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
PABPC1 P11940 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL28038339 0.84 ALDH1A1 (0.44) MAOAMEN1ALDH1A1KMT2ADNMT1
SCHEMBL27719569 0.80 KDM4E (0.50) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL28245095 0.76 CYP1A2 (0.48) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL31381511 0.74 MEN1 (0.56) MAOAMEN1ALDH1A1KMT2ADNMT1
SCHEMBL12800170 0.74 MEN1 (0.56) MAOAMEN1ALDH1A1KMT2ADNMT1
SCHEMBL24895108 0.72 HSD17B10 (0.50) MAOAMEN1ALDH1A1KMT2AMCL1
SCHEMBL30364684 0.72 KMT2A (0.54) MAOAMEN1ALDH1A1KMT2ADNMT1
SCHEMBL7048261 0.72 KMT2A (0.54) MAOAMEN1ALDH1A1KMT2ADNMT1
SCHEMBL29906204 0.68 ALDH1A1 (0.70) MAOAMEN1ALDH1A1KMT2ADNMT1
SCHEMBL5858623 0.68 ALDH1A1 (0.70) MAOAMEN1ALDH1A1KMT2ADNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128864-C Method for separating essential oil from essential oil raw material DANISCO (DK) 2003-11-26 CN disclosed
CN-1360624-A Process for separating essential oils from essential oil-contg. material DANISCO (DK) 2002-07-24 CN disclosed