SCHEMBL11069047

SCHEMBL11069047

CCOC(=O)CC(=O)CCc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
FFAR4 Q5NUL3 1/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
MEN1 O00255 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR1 P21554 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRA P10827 1/20 0.43

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
SCHEMBL879289 0.88 CYP4F2 (0.58) KMT2AFFAR4CYP4F2CYP4A11MEN1
SCHEMBL11073321 0.87 MEN1 (0.50) KMT2AFFAR4MEN1RAB9ATDP1
SCHEMBL11066194 0.86 NPC1 (0.46) KMT2ACYP4F2CYP4A11MEN1CNR1
SCHEMBL4326400 0.86 FFAR1 (0.48) KMT2AFFAR4MEN1CNR1TAAR1
SCHEMBL4151444 0.86 TAAR1 (0.45) FFAR4CYP4F2CYP4A11CNR1PPARG
SCHEMBL6484929 0.85 KMT2A (0.51) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL717900 0.84 TDP1 (0.56) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL24298657 0.83 MAPT (0.44) CYP4F2CYP4A11PPARGPPARASYK
SCHEMBL7159712 0.82 CYP4F2 (0.64) KMT2ACYP4F2CYP4A11TDP1L3MBTL1
SCHEMBL7337631 0.82 TAAR1 (0.57) KMT2AFFAR4MEN1HDAC3HDAC1

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
US-4444981-A ANTIINFLAMMATORY, ANALGESICS BEECHAM GROUP LIMITED (GB) 1984-04-24 US disclosed
EP-0024807-B1 BENZOCYCLOHEPTAPYRROLEALKANOIC ACIDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-11-02 EP disclosed
EP-0024807-A1 Benzocycloheptapyrrolealkanoic acids and their derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-03-11 EP disclosed