SCHEMBL4643780

SCHEMBL4643780

O=C(CCCCl)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4641545 0.95 TDP1 (0.40) TDP1L3MBTL1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4642177 0.89 POLB (0.44) TDP1L3MBTL1CYP1A2ALDH1A1HDAC3
SCHEMBL4645376 0.84 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EPOLB
SCHEMBL4643576 0.84 TDP1 (0.42) TDP1L3MBTL1CYP1A2ALDH1A1HDAC3
SCHEMBL4647280 0.83 CES2 (0.58) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL4642623 0.82 TDP1 (0.41) TDP1L3MBTL1CYP1A2ALDH1A1HDAC3
SCHEMBL27614813 0.82 CES2 (0.56) TDP1L3MBTL1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9721871 0.81 HSD11B1 (0.47) TDP1L3MBTL1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4641484 0.81 TDP1 (0.47) TDP1L3MBTL1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4646786 0.79 TDP1 (0.45) TDP1L3MBTL1CYP1A2ALDH1A1HDAC3

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed