SCHEMBL8082067

SCHEMBL8082067

COc1cc2ccccc2c(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.61
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
RIN1 Q13671 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
NQO1 P15559 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6681989 0.85 MAPT (0.55) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL6545110 0.85 NQO1 (0.50) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL6544568 0.83 ERN1 (0.63) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL5612804 0.83 MAPT (0.55) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL2889415 0.82 MAOA (0.58) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL20562674 0.81 NQO1 (0.47) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL8817298 0.81 ERN1 (0.61) ERN1KDM4EPOLBPKMNQO1
SCHEMBL27423013 0.81 MAOA (0.56) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL6345611 0.80 ALDH1A1 (0.46) ERN1KDM4EMAPTCDK5CDK5R1
SCHEMBL21718366 0.80 NQO1 (0.46) ERN1KDM4EMAPTCDK5CDK5R1

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-1042311-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO 2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 2000-10-11 EP disclosed
WO-1999031082-A1 PHOTOCHROMIC 6-ARYL SUBSTITUTED 3H-NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL, INC. (US) 1999-06-24 WO disclosed