SCHEMBL9488010

SCHEMBL9488010

Cc1cccc(Oc2ccc(OCCN)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
PLA2G2A P14555 1/20 0.66
ALDH1A1 P00352 2/20 0.62
TAAR1 Q96RJ0 1/20 0.53
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.45
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30230126 0.88 TAAR1 (0.57) LTA4HPLA2G2ATAAR1DRD2DRD4
SCHEMBL7408051 0.88 TAAR1 (0.57) LTA4HPLA2G2ATAAR1DRD2DRD4
SCHEMBL10877355 0.83 ALDH1A1 (0.57) LTA4HALDH1A1DRD2DRD4DRD3
SCHEMBL8958978 0.82 L3MBTL1 (0.49) LTA4HPLA2G2AALDH1A1TDP1L3MBTL1
SCHEMBL11433896 0.82 LTA4H (0.68) LTA4HPLA2G2AALDH1A1TAAR1DRD2
SCHEMBL9020787 0.82 ALDH1A1 (0.56) LTA4HALDH1A1DRD2DRD4DRD3
SCHEMBL10013917 0.82 ALDH1A1 (0.80) ALDH1A1TDP1L3MBTL1HTTGAA
SCHEMBL14159539 0.82 ALDH1A1 (0.80) ALDH1A1TDP1L3MBTL1HTTGAA
SCHEMBL506995 0.81 ALDH1A1 (0.68) ALDH1A1TDP1L3MBTL1HTTGAA
SCHEMBL9511199 0.80 LTA4H (0.66) LTA4HPLA2G2AALDH1A1TAAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372330-B1 SPECIAL SUBSTITUTED CYCLOPROPANE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR COMBATTING PESTS BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed
US-5145873-A Insecticides, miticides, nemetocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0372330-A1 Special substituted cyclopropane carboxamides, process for their preparation and their use for combatting pests BASF Aktiengesellschaft (DE) 1990-06-13 EP disclosed