SCHEMBL7472142

SCHEMBL7472142

COC(=O)CCCc1ccc(C)cc1.Cc1ccc(CCCC(C)(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL1928824 0.88 PLAAT3 (0.51) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18657080 0.83 CYP4Z1 (0.49) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6754911 0.83 IGF1R (0.48) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7415485 0.82 TSHR (0.56) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18373121 0.82 HPGD (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL16672973 0.82 HPGD (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL22921868 0.81 TSHR (0.58) ALDH1A1EPHX2CYP4Z1CYP4F11CYP4F12
SCHEMBL2569441 0.78 L3MBTL1 (0.55) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL23843382 0.77 POLB (0.54) ALDH1A1
SCHEMBL9235577 0.77 L3MBTL1 (0.55) TDP1PLAAT3PLAAT5PLAAT2PLAAT4

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
WO-2002022113-A2 RETINOIC ACID RECEPTOR ANTAGONISTS AS PROMOTERS OF ANGIOGENESIS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-21 WO disclosed
EP-1173061-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2002-01-23 EP disclosed
WO-2000064260-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-02 WO disclosed