SCHEMBL9839168

SCHEMBL9839168

COc1ccc(C2(c3ccc(OCCN(C)C)cc3)C(c3ccccc3)C2(Cl)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
TSHR P16473 1/20 0.47
KCNH2 Q12809 2/20 0.45
ESRRG P62508 2/20 0.44
KDR P35968 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LSS P48449 1/20 0.42
HTR6 P50406 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
ESR1 P03372 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
NR1I2 O75469 1/20 0.41
PRKD3 O94806 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL9839159 0.94 LTA4H (0.52) LTA4HKCNH2ESRRGLSSHTR6
SCHEMBL8845637 0.84 OPRM1 (0.44) LTA4HSMN1; SMN2MAPTNPC1TP53
SCHEMBL8918082 0.83 LTA4H (0.55) LTA4HKCNH2ESRRGLSSHTR6
SCHEMBL9839254 0.83 OPRM1 (0.46) LTA4HMAPTNPC1OPRM1RAB9A
SCHEMBL9839431 0.81 BCHE (0.46) SMN1; SMN2LMNAPOLBMEN1NPC1
SCHEMBL9838128 0.79 BCHE (0.46) SMN1; SMN2LMNAPOLBMEN1NPC1
SCHEMBL8915518 0.78 LTA4H (0.55) LTA4HKCNH2ESRRGLSSHTR6
SCHEMBL9838108 0.78 LTA4H (0.43) LTA4HMAPTNPC1TP53OPRM1
SCHEMBL9837820 0.77 CA12 (0.42) SMN1; SMN2MAPTKDM4EMEN1NPC1
SCHEMBL8845495 0.75 LTA4H (0.58) LTA4HKCNH2ESRRGLSSHTR6

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-5015666-A With hydroxy or alkoxy substituents on the triarylcyclopropanes Board of Reagents of the University of Oklahoma (US) 1991-05-14 US disclosed