SCHEMBL11088971

SCHEMBL11088971

CCCOc1cc2c(cc1C(C)c1ccccc1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.40
MAOB P27338 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL11086745 0.94 ALOX15 (0.45) ALOX15LMNATSHRSMN1; SMN2RAB9A
SCHEMBL11090694 0.92 ALOX15 (0.41) ALOX15LMNATSHRSMN1; SMN2RAB9A
SCHEMBL11094276 0.86 CYP3A4 (0.62) ALOX15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11091589 0.83 LMNA (0.41) ALOX15LMNATSHRSMN1; SMN2RAB9A
SCHEMBL11083004 0.82 CYP1A2 (0.55) ALOX15LMNATP53CYP1A2CYP3A4
SCHEMBL11091615 0.81 CYP3A4 (0.62) ALOX15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11090434 0.79 CYP3A4 (0.59) ALOX15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15501165 0.76 CALM1 (0.39) SMN1; SMN2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL11087697 0.73 CYP3A4 (0.69) ALOX15SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL11084093 0.73 HPGD (0.42) LMNASMN1; SMN2RAB9ATP53HPGD

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