SCHEMBL8439129

SCHEMBL8439129

CCCCCC=CCC=CCC=CCCCCC(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
MEN1 O00255 1/20 0.73
RECQL P46063 1/20 0.73
KMT2A Q03164 1/20 0.73
POLM Q9NP87 1/20 0.56
POLK Q9UBT6 1/20 0.56
POLL Q9UGP5 1/20 0.56
POLH Q9Y253 1/20 0.56
HTR2A P28223 2/20 0.52
F7 P08709 4/20 0.51
F3 P13726 4/20 0.51
FFAR1 O14842 3/20 0.51
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
PTGS1 P23219 2/20 0.51
ESR1 P03372 1/20 0.51
SRD5A2 P31213 1/20 0.51
CASP6 P55212 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL469664 1.00 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL16800411 0.99 KDM4E (0.71) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL17369041 0.99 KDM4E (0.71) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL16800410 0.97 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL8814970 0.97 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL8814964 0.97 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL7710665 0.96 KDM4E (0.75) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL454163 0.96 KDM4E (0.75) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL17369039 0.96 KDM4E (0.75) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL16770314 0.91 KDM4E (0.71) KDM4EMEN1RECQLKMT2APOLM

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-5990164-A CARDIOVASCULAR DISORDERS, ANTIDIABETIC AGENTS, SKIN DISEASES, ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS, IMMUNOLOGICAL DISEASES, PSYCHOLOGICAL AND SKIN DISORDERS; WATER SOLUBLE; NUTRIENTS; FOODS; TOPICAL SCOTIA HOLDINGS PLC (GB) 1999-11-23 US disclosed