SCHEMBL8137248

SCHEMBL8137248

COC(=O)c1ccc(Cl)c(-c2cc(C)no2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
ABL1 P00519 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
NTRK1 P04629 1/20 0.38
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37

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
SCHEMBL8136649 0.87 MEN1 (0.46) NOTUMALDH1A1KDM4EUSP2TSHR
SCHEMBL5209607 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL5204512 0.85 KDM4E (0.43) NOTUMALDH1A1KDM4EUSP2TSHR
SCHEMBL8135182 0.84 MEN1 (0.41) NOTUMALDH1A1KDM4EUSP2TSHR
SCHEMBL5704595 0.82 NOTUM (0.41) NOTUMALDH1A1KDM4EUSP2TSHR
SCHEMBL5704574 0.78 ALDH1A1 (0.43) NOTUMALDH1A1KDM4EUSP2TSHR
SCHEMBL8138255 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL5704571 0.74 KDM4E (0.39) NOTUMALDH1A1KDM4EUSP2TSHR
SCHEMBL5204516 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL8138247 0.74 PTGS2 (0.42) NOTUMALDH1A1KDM4EPOLBKMT2A

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-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
US-6100421-A METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE NIPPON SODA CO., LTD. (JP) 2000-08-08 US disclosed
US-5948917-A INTERMEDIATE FOR THE PRODUCTION OF A HERBICIDALLY ACTIVE PYRAZOLE COMPOUND NIPPON SODA CO., LTD. (JP) 1999-09-07 US disclosed
EP-0894792-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-02-03 EP disclosed
EP-0891972-A1 3-(ISOXAZOL-5-YL)-SUBSTITUTED BENZOIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1999-01-20 EP disclosed