SCHEMBL22013498

SCHEMBL22013498

CCC(C)(CC)Oc1ccc(C(C)c2ccc(OC(=O)C(C)(C)CC)c(C)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
VDR P11473 3/20 0.35
ADRB2 P07550 1/20 0.35
FBP1 P09467 1/20 0.34
AR P10275 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL14039812 0.90 ALDH1A1 (0.36) ALDH1A1LMNACYP3A4HIF1AVDR
SCHEMBL22856722 0.87 VDR (0.36) ALDH1A1LMNACYP3A4HIF1AVDR
SCHEMBL21179856 0.85 VDR (0.35) VDRFBP1ARACHE
SCHEMBL12907945 0.85 VDR (0.42) ALDH1A1VDRFBP1ARHDAC3
SCHEMBL14701777 0.84 VDR (0.41) ALDH1A1VDRFBP1ARHDAC3
SCHEMBL14701717 0.84 L3MBTL1 (0.37) ALDH1A1LMNACYP3A4HIF1AVDR
SCHEMBL14040042 0.82 CYP1A2 (0.41) CYP3A4L3MBTL1
SCHEMBL19139144 0.80 TAS1R3 (0.33) ALDH1A1VDRL3MBTL1PPARGPPARD
SCHEMBL18202020 0.78 ELANE (0.36) ALDH1A1VDRL3MBTL1TAS1R3TAS1R1
SCHEMBL18844120 0.77 ELANE (0.34) ALDH1A1VDRL3MBTL1TAS1R3TAS1R1

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-10663913-B2 Process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2020-05-26 US disclosed