SCHEMBL9839159

SCHEMBL9839159

CN(C)CCOc1ccc(C2(c3ccccc3)C(c3ccccc3)C2(Cl)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
LSS P48449 1/20 0.44
HTR6 P50406 2/20 0.43
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ESR1 P03372 5/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ESR2 Q92731 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
NR1I2 O75469 1/20 0.43
PRKD3 O94806 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
GBA1 P04062 1/20 0.43
NR3C1 P04150 1/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL9839168 0.94 LTA4H (0.49) LTA4HLSSHTR6LMNAHRH3
SCHEMBL8918082 0.86 LTA4H (0.55) LTA4HLSSHTR6LMNAHRH3
SCHEMBL8915518 0.84 LTA4H (0.55) LTA4HLSSHTR6LMNAHRH3
SCHEMBL8915871 0.78 LTA4H (0.58) LTA4HLSSHTR6LMNAHRH3
SCHEMBL8845495 0.78 LTA4H (0.58) LTA4HLSSHTR6LMNAHRH3
SCHEMBL9839254 0.77 OPRM1 (0.46) LTA4HMAPTNPC1OPRM1RAB9A
Hydrochloric Acid SCHEMBL10574784 0.77 LTA4H (0.56) LTA4HLSSHTR6LMNAHRH3
SCHEMBL9839855 0.76 MAOB (0.41) LMNAMEN1KMT2AALDH1A1
SCHEMBL8916213 0.75 CYP2D6 (0.53) LTA4HHTR6HRH3ESR1CYP2D6
SCHEMBL8845637 0.75 OPRM1 (0.44) LTA4HMAPTNPC1TP53OPRM1

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