SCHEMBL12972097

SCHEMBL12972097

CCCOC(=O)c1ccc(OC(=O)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ TSHR P16473 3/20 0.60
▸ ESR1 P03372 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ MAPT P10636 5/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HPGD P15428 3/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ STS P08842 2/20 0.57
▸ LMNA P02545 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RECQL P46063 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL7696080 0.88 MAPT (0.62) ALDH1A1TSHRESR1MAPTKMT2A
SCHEMBL7690777 0.88 MAPT (0.62) ALDH1A1TSHRESR1MAPTKMT2A
SCHEMBL26804085 0.87 CA1 (0.58) TSHRESR1MAPTKMT2AHPGD
SCHEMBL19373814 0.86 MAPT (0.70) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL7690507 0.84 MAPT (0.58) ALDH1A1TSHRESR1MAPTKMT2A
SCHEMBL12987684 0.84 MAPT (0.57) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL4644691 0.83 ALDH1A1 (0.64) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL1988247 0.83 TSHR (0.68) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL680463 0.83 ALDH1A1 (0.72) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL49950 0.82 ALDH1A1 (0.84) ALDH1A1TSHRESR1TDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311920-A1 Using Reactive Block Copolymers as Chain Extenders and Surface Modifiers CID CENTRO DE INVESTIGACION Y DESARROLLO TECNOLOGICO SA DE CV (MX) 2010-12-09 — — US disclosed
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