SCHEMBL8724972

SCHEMBL8724972

CCCCCCC(OC(CCCCCC)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ GCGR P47871 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ GRIA4 P48058 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ CTSG P08311 1/20 0.35

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
SCHEMBL8463118 0.81 HDAC3 (0.43) HDAC3HDAC1HDAC2GCGRSLC2A1
SCHEMBL11669984 0.79 SLC2A1 (0.41) SLC2A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4578980 0.79 NR5A1 (0.49) SLC2A1ALDH1A1MAPTLMNAHSD17B10
SCHEMBL16057441 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5
SCHEMBL3219880 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5
SCHEMBL9168419 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5
SCHEMBL11005389 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5
SCHEMBL8048483 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5
SCHEMBL7448877 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5
SCHEMBL27633640 0.79 HTR2A (0.44) SLC2A1ALDH1A1SMN1; SMN2PRSS1SLC7A5

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-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 — — US disclosed
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