SCHEMBL11080245

SCHEMBL11080245

COc1ccc(C)c(CCCC(=O)O)c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 2/20 0.50
PDE4B Q07343 1/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR17 Q13304 1/20 0.46
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TSHR P16473 1/20 0.45
LTB4R Q15722 1/20 0.45

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
SCHEMBL24483184 0.89 KMT2A (0.62) POLBHTTMEN1KMT2AHSD17B10
SCHEMBL11433418 0.84 HSD17B10 (0.67) POLBHSD17B10MTNR1AMTNR1B
SCHEMBL14430371 0.83 POLB (0.61) POLBHSD17B10PDE4BMTNR1AMTNR1B
SCHEMBL9812423 0.83 POLB (0.57) POLBHTTMEN1KMT2AHSD17B10
SCHEMBL23386065 0.83 POLB (0.65) POLBHTTHSD17B10PDE4BMTNR1A
SCHEMBL27788117 0.83 POLB (0.60) POLBMEN1KMT2AHSD17B10PDE4B
SCHEMBL14255243 0.82 MEN1 (0.47) POLBHTTMEN1KMT2AMTNR1A
SCHEMBL26679226 0.81 POLB (0.59) POLBHTTMEN1KMT2AHSD17B10
SCHEMBL25648716 0.81 POLB (0.71) POLBHTTMEN1KMT2AHSD17B10
SCHEMBL11080242 0.81 POLB (0.55) POLBHTTMEN1KMT2AHSD17B10

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-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 US disclosed