SCHEMBL6182003

SCHEMBL6182003

Cc1c(C(=O)Cl)ccc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.42
NQO2 P16083 2/20 0.39
CYP19A1 P11511 1/20 0.38
MT-CO2 P00403 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL668947 0.86 KDM4E (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2427291 0.84 ALDH1A1 (0.44) AOC3NQO2CYP19A1ALDH1A1MAPK1
SCHEMBL6341931 0.84 AOC3 (0.43) AOC3NQO2CYP19A1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6182013 0.83 ALDH1A1 (0.43) AOC3NQO2CYP19A1ALDH1A1MAPK1
SCHEMBL12866048 0.83 AOC3 (0.42) AOC3NQO2CYP19A1ALDH1A1MAPK1
SCHEMBL3798798 0.80 ALDH1A1 (0.45) AOC3ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL9348938 0.79 RAB9A (0.39) AOC3NQO2ALDH1A1MAPK1TXNRD1
SCHEMBL6183667 0.79 AOC3 (0.39) AOC3NQO2CYP19A1ALDH1A1MAPK1
SCHEMBL10343154 0.77 AOC3 (0.37) AOC3NQO2ALDH1A1MAPK1TXNRD1
SCHEMBL15426096 0.76 SRD5A2 (0.55) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 EP claimed
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0639559-A1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM AND HAAS COMPANY (US) 1995-02-22 EP disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed