SCHEMBL11204263

SCHEMBL11204263

CCCCC(CCCC)(COc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
KCNA3 P22001 1/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 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
SCHEMBL6560515 0.81 KIF11 (0.42) LTA4HESR1MEN1KMT2A
SCHEMBL705822 0.81 KIF11 (0.36) LTA4HESR1KCNH2MAPK1KMT2A
SCHEMBL3969704 0.79 KIF11 (0.37) LTA4HESR1CHRM2CHRM3KCNH2
SCHEMBL9447607 0.77 KIF11 (0.41) LTA4HESR1MEN1KMT2A
SCHEMBL25298896 0.77 KIF11 (0.41) LTA4HESR1MEN1KMT2A
SCHEMBL27956680 0.76 KIF11 (0.40) LTA4HESR1DRD2DRD3MEN1
SCHEMBL5425018 0.76 SIGMAR1 (0.41) ESR1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL5180404 0.75 SIGMAR1 (0.42) LTA4HMEN1KMT2A
SCHEMBL3481837 0.75 KIF11 (0.35) LTA4HESR1MEN1KMT2A
SCHEMBL51317 0.74 TAAR1 (0.47) ESR1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4391828-A Dibutylorthobenzylmethoxybenzenes and dibutylorthocinnamylmethoxybenzenes as mosquito larvae growth inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-07-05 US disclosed
US-4391828-A Dibutylorthobenzylmethoxybenzenes and dibutylorthocinnamylmethoxybenzenes as mosquito larvae growth inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-07-05 US disclosed
US-4391828-A Dibutylorthobenzylmethoxybenzenes and dibutylorthocinnamylmethoxybenzenes as mosquito larvae growth inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-07-05 US disclosed