SCHEMBL11640397

SCHEMBL11640397

COc1cc(OC)cc(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CNR2 P34972 3/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX12 P18054 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM1A O60341 1/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL27549150 0.82 KDM1A (0.57) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL12040557 0.80 LMNA (0.57) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL17358864 0.79 MEN1 (0.46) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL11645079 0.76 KMT2A (0.47) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL28387823 0.74 LMNA (0.36) ALDH1A1CNR2KMT2AGAALMNA
SCHEMBL27199178 0.73 KMT2A (0.53) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL27584489 0.72 LMNA (0.52) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL16248317 0.72 EPHX2 (0.49) ALDH1A1CNR2KMT2AMEN1POLB
SCHEMBL31525726 0.71 MAOB (0.55) ALDH1A1CNR2KMT2AMEN1LMNA
SCHEMBL27906874 0.71 KMT2A (0.39) CNR2KMT2AMEN1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4131656-A Intermediates for 5-(tertiary alkyl) resorcinol preparation ELI LILLY AND COMPANY (US) 1978-12-26 US disclosed
US-4087410-A 5-(Tertiary alkyl) resorcinol preparation and intermediates therefor ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed