SCHEMBL8845162

SCHEMBL8845162

Cc1ccc(Cl)cc1CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
LMNA P02545 3/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 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
SCHEMBL11563174 0.83 CYP3A4 (0.43) CYP3A4LMNAIDO1MEN1SLC22A1
SCHEMBL9917352 0.83 CYP3A4 (0.39) CYP3A4IDO1MEN1USP2MAPT
SCHEMBL1309880 0.81 TP53 (0.42) CYP3A4LMNAIDO1MEN1SLC22A1
SCHEMBL12791096 0.79 MEN1 (0.42) CYP3A4LMNAIDO1MEN1SLC22A1
SCHEMBL28829947 0.78 TAAR1 (0.52) CYP3A4MEN1MAPTHPGDHTT
SCHEMBL18386492 0.77 ALDH1A1 (0.50) CYP3A4LMNAMEN1MAPTALOX15
SCHEMBL6886022 0.77 GGPS1 (0.55) CYP3A4LMNAIDO1MEN1USP2
SCHEMBL31459834 0.76 CYP3A4 (0.48) CYP3A4LMNAIDO1MEN1SLC22A1
SCHEMBL8418306 0.76 CYP3A4 (0.48) CYP3A4LMNAIDO1MEN1SLC22A1
SCHEMBL9861809 0.76 CYP3A4 (0.48) CYP3A4LMNAIDO1MEN1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668232-A Process for the production of polyisoolefins BAYER AG (DE) 1997-09-16 US disclosed