SCHEMBL4987182

SCHEMBL4987182

CC(C#N)c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
NFKB1 P19838 1/20 0.57
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL2163244 0.83 ALDH1A1 (0.46) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL20847708 0.82 CYP1A2 (0.41) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18190402 0.81 CYP1A2 (0.40) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL27236092 0.81 CFD (0.44) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL10925261 0.81 CYP3A4 (0.40) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL20796885 0.79 PNMT (0.52) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21296470 0.78 CYP3A4 (0.48) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL800062 0.77 ALDH1A1 (0.39) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL22801396 0.76 CYP1A2 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL423182 0.76 CYP1A2 (0.68) PNMTCYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338143-B2 Enhanced production of paclitaxel and taxanes by cell cultures of Taxus species PHYTON HOLDINGS, LLC (US) 2012-12-25 US disclosed
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US disclosed
EP-0954596-B1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON INC (US) 2006-01-04 EP disclosed
EP-1538214-A1 Enhanced production of taxanes by cell cultures of taxus species PHYTON, INC. (US) 2005-06-08 EP disclosed
EP-1398384-A1 Enhanced production of taxanes by cell cultures of taxus species Phyton Inc. (US) 2004-03-17 EP disclosed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed