SCHEMBL6724461

SCHEMBL6724461

CC(C)(O)C#Cc1ccc(OCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ APP P05067 7/20 0.48
▸ NR1I2 O75469 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HAO1 Q9UJM8 1/20 0.43
▸ ACACB O00763 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.38

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
SCHEMBL6719797 0.89 MAPT (0.47) MAPTCYP3A4SMN1; SMN2APPLMNA
SCHEMBL6132763 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL6320559 0.82 NR5A1 (0.56) MAPTLMNAL3MBTL1ALDH1A1GAA
SCHEMBL6324406 0.82 NR5A1 (0.56) MAPTLMNAL3MBTL1ALDH1A1GAA
SCHEMBL6133198 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL7690566 0.82 RARB (0.54) MAPTCYP3A4LMNAL3MBTL1ALDH1A1
SCHEMBL12711671 0.81 APP (0.65) CYP3A4SMN1; SMN2APPNR1I2ALDH1A1
SCHEMBL11194609 0.80 MCHR1 (0.59) MAPTACACB
SCHEMBL27573986 0.80 L3MBTL1 (0.50) MAPTAPPLMNAL3MBTL1ALDH1A1
SCHEMBL12391039 0.79 ASIC3 (0.50) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673267-B2 EXHIBING HIGH REFRACTIVE INDEX ANISOTROPY; PHOTOSTABILITY; USEFUL IN PRODUCING COLORED FILMS, DISPLAYS, OPTICAL RECORDING MATERIALS, OPTICAL COMPENSATORS, POLARIZERS, REFLECTOR PLATES, AND SCATTERING PLATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-06 — — US disclosed
US-20020006479-A1 Phenylacetylene compound, liquid crystal composition, polymer, optically anisotropic product, and liquid crystal or optical element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-17 — — US disclosed
Send feedback