SCHEMBL9313692

SCHEMBL9313692

Oc1cccc2c(Oc3c(F)cc(C(F)(F)F)c(F)c3F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
AR P10275 2/20 0.35
ESR1 P03372 12/20 0.35
ESR2 Q92731 12/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
JAK2 O60674 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
POLB P06746 2/20 0.34
KCNJ11 Q14654 1/20 0.33
HPGD P15428 1/20 0.32
APEX1 P27695 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
SCHEMBL9314085 0.82 ESR1 (0.37) ESR1ESR2MEN1KMT2AGAA
SCHEMBL9644404 0.81 TRPV1 (0.40) HSD17B1HSD17B2ARESR1ESR2
SCHEMBL9315737 0.78 KMT2A (0.39) KMT2AGAASMN1; SMN2APEX1
SCHEMBL9854839 0.78 LMNA (0.33) GAASMN1; SMN2NPSR1HPGDKDM4E
SCHEMBL9710663 0.77 AR (0.37) ARESR1ESR2MEN1KMT2A
SCHEMBL9854932 0.77 F9 (0.43) GAAMAPTSMN1; SMN2NPSR1HSD17B10
SCHEMBL9643156 0.75 TRPV1 (0.41) HSD17B1HSD17B2ARESR1ESR2
SCHEMBL9711013 0.72 AR (0.37) ARESR1ESR2MEN1KMT2A
SCHEMBL9644283 0.72 HPGD (0.46) ESR1ESR2MEN1KMT2AGAA
SCHEMBL9313686 0.72 KDM4E (0.41) ESR1ESR2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300676-A Herbicidal fluorine-substituted alpha-(5-aryloxynaphthalen-1-yl-oxy)-propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0453842-A2 Fluor subsituted derivatives of alpha-(5-aryloxy-naphthalen-1-yloxy)propionic acid BAYER AG (DE) 1991-10-30 EP disclosed