SCHEMBL3124248

SCHEMBL3124248

COc1cc(C)c(OCCC(C)CCCC(C)C)cc1C(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
FDPS P14324 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.31
GGPS1 O95749 1/20 0.31
GAK O14976 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
PKM P14618 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30

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
Hydrochloric Acid SCHEMBL3124253 0.86 LMNA (0.38) PDPK1FDPSPOLBGAAGFER
Hydrochloric Acid SCHEMBL3124250 0.86 LMNA (0.38) PDPK1FDPSPOLBGAAGFER
SCHEMBL13016850 0.85 LMNA (0.45) FDPSLMNAESR1ALOX5GGPS1
SCHEMBL7201077 0.80 MEN1 (0.40) FDPSALOX5CYP1A2ADRA2ACYP2D6
SCHEMBL5886067 0.80 ALOX5 (0.40) FDPSGAAALOX5GGPS1GAK
Hydrochloric Acid SCHEMBL3122336 0.79 C5 (0.36) PDPK1FDPSALOX5GGPS1CYP1A2
SCHEMBL4546501 0.78 HMGCR (0.34) PDPK1FDPSLMNAESR1ALOX5
SCHEMBL18804474 0.78 HMGCR (0.44) PDPK1LMNAESR1ALOX5TRPV1
SCHEMBL6248953 0.77 LMNA (0.37) FDPSPOLBLMNAESR1ALOX5
SCHEMBL7114046 0.77 RARB (0.41) FDPSGAAALOX5GGPS1GAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759428-B1 Conjugated heteroaryl-containing polymers DUPONT DISPLAYS, INC. (US) 2010-07-20 US disclosed