SCHEMBL11085807

SCHEMBL11085807

CCCOc1cc2c(cc1C(C)(C)c1ccccc1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 1/20 0.42
MAOB P27338 4/20 0.40
MAOA P21397 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NPC1 O15118 2/20 0.36
SLC6A9 P48067 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL11086473 0.94 MAOB (0.42) RAB9ASMN1; SMN2LMNATSHRTP53
SCHEMBL11082331 0.92 MAOB (0.38) RAB9ASMN1; SMN2LMNATSHRTP53
SCHEMBL11088510 0.89 KMT2A (0.41) RAB9ASMN1; SMN2LMNATP53MAOB
SCHEMBL11092097 0.82 HPGD (0.43) RAB9ALMNATSHRTP53HTR2C
SCHEMBL14308419 0.73 ESR1 (0.42) ALOX15PKM
SCHEMBL11088971 0.71 ALOX15 (0.44) RAB9ASMN1; SMN2LMNATSHRTP53
SCHEMBL21363680 0.69 SLC6A9 (0.41) RAB9ASMN1; SMN2LMNATSHRTP53
SCHEMBL21363674 0.68 CDK4 (0.44) RAB9ASMN1; SMN2LMNATSHRMAOB
SCHEMBL15473244 0.68 GABRA1 (0.49) RAB9ASMN1; SMN2LMNATSHRTP53
SCHEMBL11091589 0.68 LMNA (0.41) RAB9ASMN1; SMN2LMNATSHRTP53

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-4482728-A ANTIFERTILITY AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-11-13 US disclosed
US-4357344-A Polybutylbenzylphenols and benzyl-3,4-methylenedioxybenzenes in insect population control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-11-02 US disclosed
US-4342777-A GROWTH INHIBITOR FOR MOSQUITO LARVAE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-08-03 US disclosed