SCHEMBL28054660

SCHEMBL28054660

CCCCC[CH]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HSD11B1 P28845 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
MGLL Q99685 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL28462617 0.93 SOAT2 (0.46) HPGDLMNATSHRFAAHCES1
SCHEMBL38728 0.88 LMNA (0.46) HDAC3SMN1; SMN2LMNAFAAHCES1
SCHEMBL302694 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL5206775 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL302928 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL303164 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL304116 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL302971 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL303521 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1
SCHEMBL139446 0.86 TDP1 (0.47) SMN1; SMN2LMNATSHRFAAHCES1

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
CN-105555270-A Pharmaceutical composition for treatment and/or prevention of lung diseases UBE INDUSTRIES 2016-05-04 CN disclosed
CN-105308023-A substituted biaryl compounds UBE INDUSTRIES 2016-02-03 CN disclosed