SCHEMBL27587128

SCHEMBL27587128

OC1c2ccccc2C(O)c2c(-c3ccccc3-c3ccccc3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BACE1 P56817 1/20 0.34
PDCD1 Q15116 1/20 0.34

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
Biphenyl SCHEMBL27675541 0.91 CHRNB2 (0.44) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL27567815 0.89 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
Biphenyl SCHEMBL28941488 0.89 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL7324096 0.81 CHRNB2 (0.45) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL27587054 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL6855033 0.79 EDNRB (0.40) CHRNB2CHRNA4ALDH1A1HSD17B10KDM4E
SCHEMBL27675536 0.76 HDAC8 (0.45) ALDH1A1HSD17B10KDM4EMEN1TP53
SCHEMBL28964256 0.75 NCOA1 (0.41) ALDH1A1HPGD
Formic Acid SCHEMBL27894294 0.74 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1HSD17B10HPGD
SCHEMBL15904247 0.73 KDM4E (0.39) CHRNB2CHRNA4ALDH1A1HSD17B10KDM4E

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
CN-101381276-A Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2009-03-11 CN disclosed
CN-100445245-C Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2008-12-24 CN disclosed
CN-1394195-A Organic electroluminescent element IDEMITSU KOSAN CO (JP) 2003-01-29 CN disclosed