SCHEMBL8800587

SCHEMBL8800587

Cc1cc(C)c(C)c(CC(C)(C)NC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 3/20 0.41
ALDH1A1 P00352 6/20 0.36
SSTR4 P31391 1/20 0.35
TPMT P51580 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSPA5 P11021 1/20 0.32

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
SCHEMBL7412458 0.80 NPC1 (0.46) KDM4EL3MBTL1LMNAALDH1A1SSTR4
SCHEMBL7410939 0.74 L3MBTL1 (0.46) KDM4EL3MBTL1LMNAALDH1A1HTT
SCHEMBL7414592 0.73 SSTR4 (0.41) LMNAALDH1A1SSTR4HTTSMN1; SMN2
SCHEMBL7408911 0.72 SSTR4 (0.59) KDM4ELMNAALDH1A1SSTR4HTT
SCHEMBL8802364 0.71 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1SSTR4TSHR
SCHEMBL8801272 0.71 HDAC3 (0.42) L3MBTL1SSTR4TSHR
SCHEMBL1257785 0.71 HPGD (0.53) KDM4EL3MBTL1SMN1; SMN2HPGDTSHR
SCHEMBL7412315 0.69 MEN1 (0.46) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL18035902 0.68 USP2 (0.50) KDM4EL3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL1257783 0.67 KDM4E (0.39) KDM4EL3MBTL1LMNAALDH1A1SMN1; SMN2

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-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed