SCHEMBL9080792

SCHEMBL9080792

COc1ccc(C(=O)c2ccccc2[C]=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
ACHE P22303 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL6482526 0.86 KMT2A (0.54) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL27846222 0.86 KMT2A (0.60) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL537442 0.84 MAPT (0.61) KMT2ANPC1NPSR1ALDH1A1CES2
SCHEMBL7609860 0.83 KMT2A (0.50) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL7673359 0.81 AKR1C3 (0.61) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1331831 0.81 AKR1C3 (0.57) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL64069 0.81 AKR1C3 (0.57) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL9490579 0.80 MAPT (0.53) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL7044239 0.80 LIG1 (0.61) KMT2AALDH1A1CES2HTTLMNA
SCHEMBL9851196 0.80 KMT2A (0.70) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1

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-0745065-A1 9-(SUBSTITUTED AMINO)-ALPHA-6-DEOXY-5-OXY TETRACYCLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS PFIZER INC. (US) 1996-12-04 EP disclosed
EP-0668889-A1 STABILIZER MIXTURES CONTAINING GARNET-CLASS COMPOUNDS FOR POLYMERS. HENKEL KGAA (DE) 1995-08-30 EP disclosed
WO-1995022529-A1 9-(SUBSTITUTED AMINO)-ALPHA-6-DEOXY-5-OXY TETRACYCLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS PFIZER INC. (US) 1995-08-24 WO disclosed
WO-1994011431-A1 STABILIZER MIXTURES CONTAINING GARNET-CLASS COMPOUNDS FOR POLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-05-26 WO disclosed