SCHEMBL9626786

SCHEMBL9626786

CCC(C)COC(=O)c1ccc(O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
SERPINE1 P05121 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41

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
SCHEMBL9626568 1.00 MAPT (0.53) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL9340876 0.83 MAPT (0.49) MAPTCA12CA1CA2CA7
SCHEMBL7129984 0.83 MAPT (0.49) MAPTCA12CA1CA2CA7
SCHEMBL7129989 0.83 MAPT (0.49) MAPTCA12CA1CA2CA7
SCHEMBL495831 0.82 CA12 (0.67) MAPTCA12CA1CA2CA7
SCHEMBL495829 0.82 CA12 (0.67) MAPTCA12CA1CA2CA7
SCHEMBL1496051 0.82 CA12 (0.70) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL11108745 0.79 NPC1 (0.70) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL7518418 0.77 SMN1; SMN2 (0.42) MAPTNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL10184845 0.77 SMN1; SMN2 (0.59) MAPTNPC1CASP3RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed