SCHEMBL11816976

SCHEMBL11816976

CC(C)(C)C1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ HSP90AA1 P07900 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ XBP1 P17861 1/20 0.61
▸ HTT P42858 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CYP1A2 P05177 2/20 0.56
▸ NOD2 Q9HC29 1/20 0.56
▸ F3 P13726 1/20 0.53

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
SCHEMBL11816970 1.00 MAPT (0.61) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL11290392 0.83 MEN1 (0.54) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL11290388 0.83 MEN1 (0.54) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL8283668 0.83 CYP2C9 (0.59) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL8346191 0.82 CYP1A2 (0.62) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL8999995 0.82 CYP1A2 (0.62) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL14012043 0.80 MAPT (0.69) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL16807421 0.80 MAPT (0.69) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL13044103 0.80 MEN1 (0.50) MAPTALDH1A1NPC1RAB9ANPSR1
SCHEMBL22462351 0.77 F10 (0.68) MAPTALDH1A1NPC1RAB9AMAPK1

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-3957762-A CENTRAL NERVOUS SYSTEM DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 — — US disclosed
Send feedback