SCHEMBL7766574

SCHEMBL7766574

CC(C)Cc1cccc(C(=O)c2ccccc2C(=O)O)c1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CDC25B P30305 1/20 0.44
AKR1C3 P42330 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
LMNA P02545 2/20 0.42
ABCB11 O95342 1/20 0.42
PTGS1 P23219 1/20 0.42
ADORA1 P30542 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5144397 0.89 G6PD (0.50) KMT2AGABRA1GABRB2LMNAABCB11
SCHEMBL7001198 0.80 KMT2A (0.39) KMT2ACYP3A4CYP2C9CDC25BLMNA
SCHEMBL6996847 0.79 ALDH1A1 (0.45) KMT2ACYP3A4CYP2C9ALDH1A1POLB
SCHEMBL157592 0.79 FOLH1 (0.53) KMT2ACYP2C9GABRA1GABRB2LMNA
SCHEMBL7002462 0.78 ALDH1A1 (0.40) KMT2ACYP3A4CYP2C9CDC25BALDH1A1
SCHEMBL8984850 0.78 G6PD (0.49) KMT2ALMNAABCB11PTGS1ADORA1
SCHEMBL901261 0.78 GABRA1 (0.50) KMT2ACYP2C9AKR1C3GABRA1GABRB2
SCHEMBL17799517 0.77 FOLH1 (0.52) KMT2ACYP2C9GABRA1GABRB2LMNA
SCHEMBL13220672 0.77 ABCB11 (0.67) AKR1C3LMNAABCB11PTGS1ADORA1
SCHEMBL2257068 0.77 GABRA1 (0.52) KMT2AGABRA1GABRB2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed