SCHEMBL10691066

SCHEMBL10691066

C=CCc1c(OCc2ccccc2)cccc1OC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
PTPN1 P18031 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
CCR5 P51681 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM1A O60341 2/20 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
SCHEMBL8601015 0.84 MEN1 (0.44) DHFRKMT2AMEN1ALDH1A1MAPT
SCHEMBL27252708 0.81 MAPT (0.44) DHFRKMT2AMEN1ALDH1A1MAPT
SCHEMBL8601204 0.80 CCR5 (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL10745934 0.80 PTPN1 (0.44) DHFRPTPN1KMT2AMEN1ALDH1A1
SCHEMBL7241509 0.78 KMT2A (0.45) PTPN1KMT2AALDH1A1TDP1HTR1A
SCHEMBL10691070 0.74 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL8601010 0.74 LMNA (0.46) DHFRKMT2AMEN1MAPTL3MBTL1
SCHEMBL772662 0.73 KDM4C (0.47) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL27252707 0.73 DHFR (0.54) DHFRMAOAMAOB
SCHEMBL10691077 0.73 HTR1A (0.41) DHFRKMT2AMEN1ALDH1A1MAPT

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-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed