SCHEMBL12474263

SCHEMBL12474263

O=C(O)Cc1occ2cc(O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
AKR1B1 P15121 1/20 0.44
GRB2 P62993 1/20 0.44
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CAMK2A Q9UQM7 2/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 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
SCHEMBL1650809 0.77 KDM4E (0.50) AKR1B1ALDH1A1LMNAGLAHPGD
SCHEMBL205825 0.70 ALOX15 (0.69) LCKFYNAKR1B1GRB2SMN1; SMN2
SCHEMBL24950261 0.70 KDM4E (0.68) LCKFYNAKR1B1GRB2ALDH1A1
SCHEMBL15212927 0.69 CA2 (0.40) AKR1B1THRATHRBCAMK2ACA2
SCHEMBL15212923 0.69 MAPT (0.44) AKR1B1THRATHRBCA2ALDH1A1
SCHEMBL21585560 0.68 TDP1 (0.66) LCKFYNAKR1B1GRB2THRA
SCHEMBL24938760 0.67 ALOX15 (0.59) LCKFYNAKR1B1GRB2THRA
SCHEMBL156238 0.66 TYR (0.60) AKR1B1CAMK2ACA2ALDH1A1LMNA
SCHEMBL29419312 0.66 TYR (0.60) AKR1B1CAMK2ACA2ALDH1A1LMNA
SCHEMBL9121263 0.66 MAOA (0.49) AKR1B1CA2ALDH1A1CYP2C9HPGD

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
EP-2675774-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2013-12-25 EP disclosed
WO-2012111849-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 WO disclosed