SCHEMBL10761804

SCHEMBL10761804

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.50
▸ NAMPT P43490 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL10765895 0.89 ALDH1A1 (0.58) SLC18A3NAMPTKMT2AHDAC3HDAC11
SCHEMBL10762955 0.87 MAPT (0.49) SLC18A3NAMPTKMT2AHDAC3HDAC11
SCHEMBL10765235 0.85 MAPT (0.48) SLC18A3NAMPTKMT2AHDAC3HDAC11
SCHEMBL5868999 0.84 SLC18A3 (0.63) SLC18A3NAMPTKMT2AHDAC3HDAC11
SCHEMBL10766591 0.84 LMNA (0.47) SLC18A3NAMPTKMT2AHDAC3HDAC11
SCHEMBL23142753 0.84 SLC18A3 (0.53) SLC18A3NAMPTKMT2AHDAC3HDAC11
SCHEMBL10762675 0.81 CYP2C9 (0.52) KMT2AHDAC3HDAC11HDAC8HDAC6
SCHEMBL10762666 0.81 CYP2C9 (0.52) KMT2AHDAC3HDAC11HDAC8HDAC6
SCHEMBL10762673 0.81 CYP2C9 (0.52) KMT2AHDAC3HDAC11HDAC8HDAC6
SCHEMBL19647610 0.81 ALDH1A1 (0.58) SLC18A3NAMPTKMT2AHDAC3HDAC11

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
Send feedback