SCHEMBL21022380

SCHEMBL21022380

O=C(O)C1[C@H](c2ccc(Cl)c(Cl)c2)C1(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.40
KMO O15229 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.37
RECQL P46063 1/20 0.37
FFAR1 O14842 1/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SRD5A2 P31213 1/20 0.36
PDE5A O76074 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
SCHEMBL21019239 1.00 NPSR1 (0.44) NPSR1TSHRKMOMEN1KMT2A
SCHEMBL19493390 1.00 NPSR1 (0.44) NPSR1TSHRKMOMEN1KMT2A
SCHEMBL18143600 1.00 NPSR1 (0.44) NPSR1TSHRKMOMEN1KMT2A
SCHEMBL18143599 1.00 NPSR1 (0.44) NPSR1TSHRKMOMEN1KMT2A
SCHEMBL18143601 1.00 NPSR1 (0.44) NPSR1TSHRKMOMEN1KMT2A
SCHEMBL21022296 0.86 NPSR1 (0.44) NPSR1TSHRMEN1KMT2AALDH1A1
SCHEMBL24281692 0.85 SLC9A1 (0.36) NPSR1TSHRMEN1KMT2AALDH1A1
SCHEMBL18147893 0.85 SLC9A1 (0.36) NPSR1TSHRMEN1KMT2AALDH1A1
SCHEMBL20845981 0.85 MEN1 (0.43) NPSR1MEN1KMT2AALDH1A1RECQL
SCHEMBL19442291 0.85 MEN1 (0.43) NPSR1MEN1KMT2AALDH1A1RECQL

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
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
EP-3578543-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP disclosed
EP-3578541-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITION, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP disclosed
EP-3578542-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP disclosed
EP-3283460-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITION, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed