2-Benzoylbenzoic Acid

2-Benzoylbenzoic Acid

SCHEMBL8079243

CCNCC.O=C(O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of 2-Benzoylbenzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.71
CDC25B P30305 2/20 0.58
ATM Q13315 1/20 0.58
NR4A1 P22736 1/20 0.56
POLB P06746 1/20 0.56
CDC25A P30304 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.50
MYC P01106 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 1/20 0.46
CAPN1 P07384 1/20 0.46
RAB9A P51151 1/20 0.45

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
Phthalic Acid SCHEMBL4372897 0.89 ALDH1A1 (0.64) AKR1C3POLBALDH1A1KDM4EALOX15
Phthalic Acid SCHEMBL5875380 0.89 ALDH1A1 (0.64) AKR1C3POLBALDH1A1KDM4EALOX15
Phthalic Acid SCHEMBL7634631 0.87 ALDH1A1 (0.61) AKR1C3POLBALDH1A1KDM4EALOX15
2-Benzoylbenzoic Acid SCHEMBL11757908 0.87 AKR1C3 (0.87) AKR1C3CDC25BATMNR4A1POLB
Benzophenone SCHEMBL27800808 0.85 ALDH1A1 (0.64) ATMALDH1A1KDM4ELMNAALOX15
Benzophenone SCHEMBL490746 0.85 ALDH1A1 (0.64) ATMALDH1A1KDM4ELMNAALOX15
Benzophenone SCHEMBL5804441 0.85 ALDH1A1 (0.64) ATMALDH1A1KDM4ELMNAALOX15
2-Benzoylbenzoic Acid SCHEMBL30296847 0.84 AKR1C3 (1.00) AKR1C3CDC25BATMNR4A1POLB
2-Benzoylbenzoic Acid SCHEMBL76332 0.84 AKR1C3 (1.00) AKR1C3CDC25BATMNR4A1POLB
Diethylamine SCHEMBL3323938 0.83 ALDH1A1 (0.55) AKR1C3CDC25BPOLBHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5917086-A Purification process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-06-29 US claimed
EP-0853078-A1 Purification process of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP claimed
EP-0853078-B1 Purification process of keto acids CIBA SC HOLDING AG (CH) 2000-08-16 EP disclosed
US-5917086-A Purification process CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-06-29 US disclosed
EP-0853078-A1 Purification process of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed