SCHEMBL7056680

SCHEMBL7056680

O=C(CCCC(O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 2/20 0.62
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL3079690 0.91 TDP1 (0.53) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL2743315 0.82 HDAC3 (0.50) L3MBTL1MAPTLMNAHDAC1HDAC8
SCHEMBL8742857 0.82 HDAC3 (0.50) L3MBTL1MAPTLMNAHDAC1HDAC8
SCHEMBL10420753 0.81 L3MBTL1 (0.62) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL11448158 0.81 TDP1 (0.62) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL8021780 0.81 BCAT2 (0.55) L3MBTL1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL8411357 0.81 TDP1 (0.67) TDP1L3MBTL1MAPTLMNAHDAC1
Benzoic Acid SCHEMBL1785852 0.81 DAO (0.56) TDP1L3MBTL1LMNANPC1RAB9A
SCHEMBL28053810 0.80 TDP1 (0.55) TDP1L3MBTL1MAPTLMNAHDAC1
SCHEMBL1052631 0.80 TDP1 (0.86) TDP1L3MBTL1MAPTLMNAHDAC1

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-0811629-B1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL IND LTD (JP) 2003-05-02 EP disclosed
US-5880301-A CATALYSTS FOR PREPARATION OF OPTICALLY ACTIVE BETA-HYDROXYKETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed