SCHEMBL11269559

SCHEMBL11269559

COC(=O)C1(CCCCc2ccc(C)c(Cl)c2)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AIMP2 Q13155 1/20 0.35
MGLL Q99685 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11276627 0.99 ABCB11 (0.45) MAPTABCB11LMNAMAPK1HPGD
SCHEMBL11261344 0.86 TSHR (0.46) MAPTABCB11LMNAMAPK1HPGD
SCHEMBL11298634 0.82 LMNA (0.58) MAPTABCB11LMNAMAPK1HPGD
SCHEMBL11205196 0.81 HPGD (0.36) HPGDKDM4EALDH1A1NPSR1HDAC6
SCHEMBL11292357 0.81 LMNA (0.60) MAPTABCB11LMNAMAPK1HPGD
SCHEMBL11265124 0.81 ABCB11 (0.44) MAPTABCB11LMNAMAPK1ALDH1A1
SCHEMBL11269045 0.81 MAPT (0.57) MAPTABCB11LMNAMAPK1KDM4E
SCHEMBL11204241 0.81 HPGD (0.35) HPGDKDM4EALDH1A1NPSR1HDAC6
SCHEMBL11272940 0.80 LMNA (0.58) MAPTABCB11LMNAMAPK1KDM4E
SCHEMBL11140301 0.79 TMEM97 (0.39) MAPTABCB11LMNAMAPK1TSHR

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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed