SCHEMBL11535855

SCHEMBL11535855

O=C(O)c1ncccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 2/20 0.46
GAA P10253 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
MYC P01106 1/20 0.42

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
SCHEMBL10750671 0.84 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL10094225 0.78 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL15994461 0.78 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL7053365 0.78 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL14354346 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL11535213 0.76 ALDH1A1 (0.39) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL27958570 0.75 KDM4E (0.52) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL24912635 0.74 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL8802880 0.74 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL20509034 0.72 KDM4E (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 US disclosed
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 US disclosed
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 US disclosed