SCHEMBL9502838

SCHEMBL9502838

NCCCOc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
PLA2G2A P14555 1/20 0.54
FFAR1 O14842 3/20 0.54
FFAR4 Q5NUL3 3/20 0.54
MAOB P27338 5/20 0.47
CACNA1B Q00975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 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
SCHEMBL9511199 0.92 LTA4H (0.66) LTA4HPLA2G2AFFAR1FFAR4MAOB
SCHEMBL15264618 0.88 TAAR1 (0.46) FFAR1FFAR4MAOBTAAR1
SCHEMBL9869869 0.87 FFAR1 (0.53) LTA4HPLA2G2AFFAR1FFAR4MAOB
Hydrochloric Acid SCHEMBL4379970 0.86 MAOB (0.46) FFAR1FFAR4MAOBTAAR1
SCHEMBL9713896 0.82 FFAR4 (0.59) LTA4HPLA2G2AFFAR1FFAR4CACNA1B
SCHEMBL15923332 0.81 PRSS1 (0.47)
SCHEMBL13886637 0.81 LTA4H (0.81) LTA4HPLA2G2ATAAR1
SCHEMBL6290496 0.80 ALDH1A1 (0.54) LTA4HFFAR1FFAR4MAOBMMP2
SCHEMBL6289347 0.80 ALDH1A1 (0.54) LTA4HFFAR1FFAR4MAOBMMP2
SCHEMBL506288 0.80 ST14 (0.62) MAOBTAAR1MMP2MMP3MMP9

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
EP-0350688-B1 CYCLOPROPANE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE TO COMBAT PESTS BASF Aktiengesellschaft (DE) 1993-04-14 EP disclosed
EP-0350688-A2 Cyclopropane carboxamides, process for their preparation and their use to combat pests BASF Aktiengesellschaft (DE) 1990-01-17 EP disclosed