SCHEMBL9712853

SCHEMBL9712853

O=C(Nc1ccccc1)OCCCCCCCCCCC=C(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RECQL P46063 1/20 0.57
TSHR P16473 1/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL17263428 0.85 RAB9A (0.75) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL10817231 0.85 RAB9A (0.75) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL1150814 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL27220953 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL6506711 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL1150793 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL1150792 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL10597471 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL9712645 0.78 TDP1 (0.67) RAB9ANPC1TSHRLMNAALDH1A1
SCHEMBL15741138 0.78 RAB9A (0.65) RAB9ANPC1SMN1; SMN2RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed