SCHEMBL7317871

SCHEMBL7317871

O=C(O)c1ccccc1OCc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.55
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP10 Q53GL7 5/20 0.50
PARP15 Q460N3 4/20 0.50
FAAH O00519 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
PTGER1 P34995 1/20 0.45
FOLH1 Q04609 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
MAPK8 P45983 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL7317868 0.88 PARP10 (0.57) SGMS2ALDH1A1MEN1KMT2APARP10
SCHEMBL1388095 0.86 FAAH (0.60) SGMS2ALDH1A1MEN1KMT2APARP10
SCHEMBL29055574 0.84 FAAH (0.57) SGMS2ALDH1A1MEN1KMT2APARP10
SCHEMBL7907804 0.83 PARP10 (0.54) SGMS2MEN1KMT2APARP10PARP15
SCHEMBL7322027 0.81 PARP10 (0.46) ALDH1A1PARP10PARP15SIRT2PARP2
SCHEMBL5839516 0.81 NR4A1 (0.63) SGMS2ALDH1A1PARP10PTGER1FOLH1
SCHEMBL3064765 0.81 FAAH (0.54) ALDH1A1MEN1KMT2APARP10PARP15
SCHEMBL7316318 0.81 SGMS2 (0.54) SGMS2ALDH1A1MEN1KMT2AFAAH
SCHEMBL933677 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AFAAHCNR1CNR2
SCHEMBL8038285 0.77 MAPK8 (0.49) ALDH1A1MEN1KMT2APARP10PARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872138-A INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL MERCK & CO., INC. (US) 1999-02-16 US disclosed