SCHEMBL30739963

SCHEMBL30739963

O=C(NCC(F)(F)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
CNR1 P21554 1/20 0.54
PRSS1 P07477 1/20 0.53
CTSG P08311 1/20 0.53
CTRB1 P17538 1/20 0.53
CMA1 P23946 1/20 0.53
MLYCD O95822 3/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 5/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 4/20 0.49
MAPK14 Q16539 1/20 0.47
ESRRG P62508 1/20 0.46
P2RX1 P51575 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30739672 0.86 HDAC1 (0.51) GAAHTTL3MBTL1RAB9ALMNA
SCHEMBL18656926 0.83 CNR1 (0.67) GAACNR1MLYCDHTTRAB9A
SCHEMBL108567 0.83 GAA (0.61) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL17833433 0.81 GAA (0.59) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL23194514 0.80 CNR1 (0.55) CNR1MLYCDHTTRAB9ALMNA
SCHEMBL10413961 0.80 CNR1 (0.55) GAACNR1MLYCDHTTRAB9A
SCHEMBL30914530 0.80 PRSS1 (0.63) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL16156086 0.80 PRSS1 (0.63) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL16215582 0.80 GAA (0.57) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL6673647 0.80 GAA (0.57) GAAPRSS1CTSGCTRB1CMA1

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed