SCHEMBL7110304

SCHEMBL7110304

CC(C)(C)c1cc(Cc2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
HSPA5 P11021 2/20 0.50
BCL2 P10415 1/20 0.50
BCL2L1 Q07817 1/20 0.50
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 2/20 0.43
ALDH1A1 P00352 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN2 P17706 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
SCHEMBL10871265 0.90 BCL2 (0.52) CYP2C19BCL2BCL2L1PTPN1PTPN2
SCHEMBL11212329 0.88 BCL2 (0.50) CYP2C9CYP2C19BCL2BCL2L1HIF1A
SCHEMBL10904873 0.88 BCL2 (0.47) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL9817016 0.85 HSPA5 (0.60) CYP2C9CYP2C19HSPA5BCL2BCL2L1
SCHEMBL17156383 0.85 HSPA5 (0.51) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL11679351 0.85 HSPA5 (0.59) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL12323451 0.84 HSPA5 (0.47) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL39554 0.84 HSPA5 (0.66) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL30903568 0.84 HSPA5 (0.66) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL29500375 0.84 HSPA5 (0.66) CYP2C9CYP2C19CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029818-A Process for inhibiting the deterioration of wood due to marine boring organisms via the use of dibutylbenzylphenol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-06-14 US claimed
CN-102574342-A Optical films with controlled surface morphology and the method of manufacturing the same SK INNOVATION CO LTD 2012-07-11 CN disclosed
EP-1354023-A2 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-10-22 EP disclosed
WO-2002053687-A2 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-07-11 WO disclosed
US-4482728-A ANTIFERTILITY AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-11-13 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-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
US-4029818-A Process for inhibiting the deterioration of wood due to marine boring organisms via the use of dibutylbenzylphenol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-06-14 US disclosed