SCHEMBL9684461

SCHEMBL9684461

C=CCC(O)CCCCCCCCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
CHRNA7 P36544 6/20 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
SCHEMBL2108370 0.89 THRB (0.46) KCNA3HDAC1HDAC2THRBKDM4E
SCHEMBL1811045 0.78 LMNA (0.53) KDM4EMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL8311664 0.78 KCNA3 (0.59) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9419530 0.78 THRB (0.46) KCNA3THRBKDM4EMEN1KMT2A
SCHEMBL23577082 0.78 KCNA3 (0.53) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9453367 0.78 LTA4H (0.62) KCNA3SMN1; SMN2ALDH1A1HTT
SCHEMBL1239723 0.77 KCNA3 (0.57) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL1138982 0.76 KCNA3 (0.52) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL1065894 0.76 KCNA3 (0.52) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL1066086 0.76 KCNA3 (0.52) KCNA3HDAC1HDAC2HDAC3HDAC4

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-5145844-A Enzyme inhibitors, antiinflammatory agents, analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-08 US disclosed
US-5030733-A Analgesics, antiinflammatory agents, phospholipase inhibitor HOECHST-ROUSSEL PHARMACETICALS INCORPORATED (US) 1991-07-09 US disclosed
EP-0300397-A2 Hydroxy-, Alkoxy- and Benzyloxy substituted phospholipids, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-25 EP disclosed