SCHEMBL10765235

SCHEMBL10765235

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(NC(C)=O)cc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ SLC18A3 Q16572 1/20 0.45
▸ TP53 P04637 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10766591 0.99 LMNA (0.47) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL10762955 0.96 MAPT (0.49) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL10765895 0.91 ALDH1A1 (0.58) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19856067 0.88 MAPT (0.44) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19853814 0.88 MAPT (0.44) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19856064 0.87 MAPT (0.44) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19856062 0.87 MAPT (0.44) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19853799 0.87 MAPT (0.44) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19853806 0.87 MAPT (0.44) MAPTLMNAALDH1A1CYP2C9SLC18A3
SCHEMBL19856059 0.86 THRA (0.51) MAPTLMNAALDH1A1CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094487-B1 HYDROTERPHENYLS, THEIR PREPARATION AND THEIR USE IN DIELECTRIC LIQUID CRYSTAL MATERIAL MERCK PATENT GmbH (DE) 1987-09-09 — — EP disclosed
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 — — US disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 — — EP disclosed
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