SCHEMBL14957482

SCHEMBL14957482

O=C1Cc2ccccc2OC1c1ccccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HTR1A P08908 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.40
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL8093208 0.81 ALDH1A1 (0.48) HTR2CHTR2BMAPTTDP1L3MBTL1
SCHEMBL27520016 0.77 NR3C1 (0.36) HTR2CHTR2BMAOBMAOAMAPK1
SCHEMBL7032381 0.74 KDM4E (0.50) MAOBMAPTTDP1KDM4EALDH1A1
SCHEMBL8093303 0.74 ANPEP (0.41) HTR2CHTR2BMAOBMAOAMAPT
SCHEMBL27279995 0.74 KDM4E (0.45) HTR2CHTR2BMAOBMAOAMAPT
SCHEMBL128290 0.74 AR (0.49) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL19746 0.73 CYP19A1 (0.45) SLC6A3MAOBMAOAMAPTKDM4E
SCHEMBL13704045 0.72 HTR1A (0.58) TNKS2HTR2CHTR2BHTR1ASLC6A2
SCHEMBL11040351 0.72 CA2 (0.50) TNKS2HTR2CHTR2BHTR1ASLC6A2
SCHEMBL4444342 0.72 ROR1 (0.43) MAOBMAOAKDM4EALDH1A1

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-8765420-B2 Method for preparing pterocarpan GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-01 US disclosed
US-20130130332-A1 NOVEL METHOD FOR PREPARING PTEROCARPAN GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-05-23 US disclosed