SCHEMBL7792695

SCHEMBL7792695

COc1ccc(-c2ccccc2OC(C)C)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 4/20 0.48
POLB P06746 3/20 0.48
AKR1C3 P42330 4/20 0.47
AKR1C2 P52895 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN11 Q06124 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 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
SCHEMBL7792184 0.83 KMT2A (0.45) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27478705 0.82 IRAK4 (0.57) ALDH1A1KDM4EIRAK4HPGD
SCHEMBL7267474 0.81 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3
SCHEMBL29853676 0.81 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3
SCHEMBL14397805 0.79 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3
SCHEMBL6536172 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3
SCHEMBL1282546 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3
SCHEMBL5096410 0.78 PTGER1 (0.62) SMN1; SMN2KDM4EPOLBNPSR1RAB9A
SCHEMBL7786417 0.78 POLB (0.48) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3
SCHEMBL28036196 0.77 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EPOLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed