SCHEMBL27399397

SCHEMBL27399397

CCCC(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CYP3A4 P08684 1/20 0.42
F2 P00734 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27889865 0.91 UTS2R (0.52) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL2455385 0.89 ALDH1A1 (0.48) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL9341086 0.88 ALDH1A1 (0.50) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL28637211 0.87 UTS2R (0.51) UTS2RLMNAALDH1A1TSHRESR1
SCHEMBL28121712 0.87 UTS2R (0.46) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL1785848 0.86 TSHR (0.52) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL3817682 0.86 TSHR (0.52) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL11573073 0.86 UTS2R (0.46) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL28204939 0.86 L3MBTL1 (0.48) UTS2RLMNAALDH1A1TSHRTP53
SCHEMBL982155 0.84 MTNR1A (0.43) KMT2APOLB

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-101610996-A Histone deacetylase inhibitors and prodrugs thereof METHYLGENE INC (CA) 2009-12-23 CN disclosed
CN-1082023-A The medicine and the novel benzoic acid derivative that contain benzoic acid derivative YAMANOUCHI PHARMA CO LTD (JP) 1994-02-16 CN disclosed