SCHEMBL21628982

SCHEMBL21628982

CCOc1ccc(N(c2cc[c]cc2)c2ccc(OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 2/20 0.44
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP10 Q53GL7 1/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL21628962 0.93 LTA4H (0.52) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL9776389 0.89 NQO1 (0.52) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL3239122 0.87 NQO1 (0.74) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL21628985 0.85 LTA4H (0.47) TSHRALDH1A1KDM4ESMN1; SMN2LTA4H
SCHEMBL21151 0.83
SCHEMBL8943785 0.81 LTA4H (0.65) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL19017946 0.81 NQO1 (0.64) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL3889599 0.81 NQO1 (0.62) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL3887440 0.81 NQO1 (0.62) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL27617296 0.81 NQO1 (0.62) NQO1TSHRTDP1ALDH1A1KDM4E

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
US-11015061-B2 Phthalocyanine-based compound and uses of same YAMAMOTO CHEMICALS, INC. (JP) 2021-05-25 US disclosed
US-20200032066-A1 PHTHALOCYANINE-BASED COMPOUND AND USES OF SAME YAMAMOTO CHEMICALS, INC. (JP) 2020-01-30 US disclosed