SCHEMBL4102385

SCHEMBL4102385

O=C(CO)Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3083874 0.83 ALDH1A1 (0.52) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL24523122 0.83 FFAR1 (0.48) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL4800015 0.81 FFAR1 (0.46) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL21249722 0.81 ALDH1A1 (0.50) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL23051149 0.80 ALDH1A1 (0.46) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL12371168 0.79 ALDH1A1 (0.48) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL19266211 0.79 FFAR1 (0.45) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL14009875 0.79 PTPN1 (0.46) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL6194889 0.79 ALDH1A1 (0.46) FFAR1ALDH1A1MAPK1MAPTNPC1
SCHEMBL26939348 0.79 FFAR1 (0.50) FFAR1ALDH1A1MAPK1MAPTNPC1

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
US-20090220770-A1 POLYMERIZABLE COMPOSITION, HIGH-REFRACTIVE-INDEX RESIN COMPOSITION, AND OPTICAL MEMBER MADE OF THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-03 US disclosed
CN-1179955-C Process for preparing taxol and its derivatives �������Ŷ���Լ��������˾ 2004-12-15 CN disclosed
CN-1158126-A Process for preparing taxol and its derivatives PHARMACIA & UPJOHN SPA (IT) 1997-08-27 CN disclosed
US-5180418-A HERBICIDALLY ACTIVE THIADIAZABICYCLONONANES AND NONENES CIBA-GEIGY CORPORATION (US) 1993-01-19 US disclosed