SCHEMBL6423366

SCHEMBL6423366

Cc1cccc(C(=O)OCC=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.46
TSHR P16473 4/20 0.46
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
UTS2R Q9UKP6 1/20 0.40
ATM Q13315 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5664136 0.86 TSHR (0.53) KMT2AMEN1CYP3A4TSHRALDH1A1
SCHEMBL9422015 0.85 CYP3A4 (0.67) KMT2AMEN1CYP3A4TSHRCYP2D6
SCHEMBL27952157 0.85 CYP3A4 (0.45) KMT2AMEN1CYP3A4TSHRALDH1A1
SCHEMBL27851179 0.84 MEN1 (0.50) KMT2AMEN1CYP3A4TSHRCYP2D6
SCHEMBL17788974 0.82 KMT2A (0.57) KMT2AMEN1CYP3A4TSHRCYP2D6
SCHEMBL30968707 0.82 TSHR (0.68) KMT2AMEN1CYP3A4TSHRCYP2D6
SCHEMBL574192 0.82 TSHR (0.68) KMT2AMEN1CYP3A4TSHRCYP2D6
SCHEMBL3487724 0.81 CA12 (0.47) KMT2AMEN1CYP3A4TSHRCYP2D6
Ammonia Solution, Strong SCHEMBL29087129 0.81 TSHR (0.66) KMT2AMEN1CYP3A4TSHRCYP2D6
SCHEMBL998093 0.79 KMT2A (0.55) KMT2AMEN1CYP3A4TSHRCYP2D6

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
US-20150275268-A1 STABILISATION OF BIOLOGICAL SAMPLES QIAGEN GMBH (DE) 2015-10-01 US disclosed
US-6921633-B2 Methods and compositions for the preservation of cells, tissues or organs in the vitreous state BIOLIFE SOLUTIONS INCORPORATED (US) 2005-07-26 US disclosed
US-6310273-B1 AMPLIFIYING DISEASE RESISTANCE IN PLANTS; TRANSFORMING PLANT, EXPRESS GENE OF INTEREST, MONITOR PLANT FOR RESISTANCE TO DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-30 US disclosed
WO-2000009664-A9 INHIBITING APOPTOSIS IN PLANTS USING A CASPASE INHIBITOR UNIV CALIFORNIA (US) 2000-09-08 WO disclosed
WO-2000009664-A1 INHIBITING APOPTOSIS IN PLANTS USING A CASPASE INHIBITOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-24 WO disclosed