SCHEMBL22147282

SCHEMBL22147282

CC(C)(C)c1ccc2oc3ccc(CC(C)(C)c4cccs4)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.40
CYP19A1 P11511 2/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.34
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACLY P53396 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CYP26A1 O43174 1/20 0.30
CYP26B1 Q9NR63 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
SCHEMBL22939800 0.76 CYP1A2 (0.44) PON1MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL24817882 0.75 PTPN22 (0.37) PON1MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL21084789 0.73 NPC1 (0.41) PON1CYP19A1MAPTALDH1A1CYP1A2
SCHEMBL23056731 0.72 PON1 (0.54) PON1MAPTALDH1A1LMNACYP1A2
SCHEMBL23058188 0.72 ESR1 (0.33) CYP19A1ESR1ACLY
SCHEMBL29317003 0.72 CYP2C19 (0.40) PON1MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL23219398 0.70 ACLY (0.36) CYP19A1MAPTESR1LMNAALOX12
SCHEMBL16806203 0.69 PON1 (0.51) PON1MAPTALDH1A1LMNACYP1A2
SCHEMBL19866512 0.68 MEN1 (0.37) PON1CYP19A1MAPTALDH1A1CYP1A2
SCHEMBL25673681 0.68 CYP1A2 (0.41) MAPTALDH1A1CYP1A2CYP2D6CYP2C19

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-20200201185-A1 HARDMASK COMPOSITION, HARDMASK LAYER AND METHOD OF FORMING PATTERNS SAMSUNG SDI CO., LTD. (KR) 2020-06-25 US disclosed