SCHEMBL9623788

SCHEMBL9623788

CC(C)c1cccc(OOC(C)(C)c2ccccc2)c1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
GABRA1 P14867 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
GABRB2 P47870 2/20 0.32
LMNA P02545 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL31185220 1.00 MAPK1 (0.48) MAPK1ALDH1A1ALOX15GABRA1CYP1A2
SCHEMBL28147955 0.91 MAPK1 (0.47) MAPK1ALDH1A1ALOX15GABRA1CYP1A2
SCHEMBL28968109 0.86 MAPK1 (0.47) MAPK1ALDH1A1ALOX15GABRA1CYP1A2
SCHEMBL9624792 0.84 MAPK1 (0.44) MAPK1ALDH1A1ALOX15
SCHEMBL978796 0.82 GABRA1 (0.42) GABRA1CYP1A2CYP3A4GABRB2LMNA
SCHEMBL30363481 0.79 GABRA1 (0.44) ALDH1A1GABRA1CYP1A2CYP3A4GABRB2
SCHEMBL27510370 0.79 GABRA1 (0.44) ALDH1A1GABRA1CYP1A2CYP3A4GABRB2
SCHEMBL9407313 0.78 CYP1A2 (0.42) GABRA1CYP1A2CYP3A4GABRB2LMNA
Hydrogen Peroxide SCHEMBL28316917 0.78 MAPK1 (0.68) MAPK1ALDH1A1ALOX15GABRA1CYP1A2
SCHEMBL11430307 0.77 MAPK1 (0.47) MAPK1ALDH1A1ALOX15CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266161-B1 LIQUID ORGANIC PEROXIDE COMPOSITIONS AUSIMONT S.p.A. (IT) 1992-01-22 EP disclosed
US-4866137-A POLYMERIC CROSSLINKING AGENT AUSIMONT S.P.A. (IT) 1989-09-12 US disclosed
US-4847232-A CURING AGENTS FOR POLYMERS AUSIMONT S.P.A. (IT) 1989-07-11 US disclosed
EP-0266161-A1 Liquid organic peroxide compositions AUSIMONT S.p.A. (IT) 1988-05-04 EP disclosed