SCHEMBL9547868

SCHEMBL9547868

COC(=O)NCCOc1ccc(Oc2cc(F)cc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
LTA4H P09960 2/20 0.47
PLA2G2A P14555 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9634003 0.90 MTNR1A (0.53) MTNR1AMTNR1BLTA4HPLA2G2ACYP1A2
SCHEMBL7191257 0.88 L3MBTL1 (0.48) MTNR1AMTNR1BLTA4HNPC1RAB9A
SCHEMBL9547905 0.87 LMNA (0.43) MTNR1AMTNR1BLTA4HCYP1A2CYP2C9
SCHEMBL9160091 0.84 PPARA (0.49) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL9747145 0.82 MAPT (0.40) MTNR1AMTNR1BLTA4HNPC1RAB9A
SCHEMBL9632354 0.78 MAPT (0.51) MTNR1AMTNR1BLTA4HNPC1RAB9A
SCHEMBL9665380 0.77 FAAH (0.53) MTNR1AMTNR1BLTA4HPLA2G2ACYP1A2
SCHEMBL11841640 0.77 MTNR1A (0.58) MTNR1AMTNR1BLTA4HNPC1MAPT
SCHEMBL10926665 0.77 MAPT (0.48) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL9633817 0.77 SMN1; SMN2 (0.48) MTNR1AMTNR1BLTA4HNPC1RAB9A

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-5192803-A Insecticides, miticides, larvicides, ovicides CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed
US-5166153-A Insecticides or miticides CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed