SCHEMBL8385758

SCHEMBL8385758

CSC1(C2CC(=O)C=C(OC(=O)c3ccc(S(C)(=O)=O)cc3Cl)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 4/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
USP28 Q96RU2 7/20 0.34
AVPR2 P30518 1/20 0.32
GPR27 Q9NS67 1/20 0.32
P2RX7 Q99572 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL8385690 0.81 LMNA (0.40) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL8015747 0.78 MAPT (0.39) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL9820457 0.74 MAPT (0.42) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL10589667 0.67 MAPT (0.34) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL1258694 0.67 LMNA (0.54) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL403618 0.65 LMNA (0.74) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL9134108 0.64 LMNA (0.44) LMNAMEN1KMT2AALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL9651756 0.64 LMNA (0.72) LMNAMEN1KMT2AALDH1A1CYP2C19
SCHEMBL28519051 0.63 CA1 (0.50) LMNAMEN1KMT2AALDH1A1CYP2C19
Sulcotrione SCHEMBL16899684 0.63 LMNA (0.47) LMNAMEN1KMT2AALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666254-B1 2-Aroylcydohexanediones, process for their preparation and their use as herbicide or as plant growth regulating agent BASF AG (DE) 1999-04-14 EP disclosed
US-5559218-A AGRICULTURAL USE BASF AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
EP-0666254-A1 2-Aroylcydohexanediones, process for their preparation and their use as herbicide or as plant growth regulating agent BASF AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed