SCHEMBL11701259

SCHEMBL11701259

CC(=O)NCc1ccc2c(c1)COO2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6400239 0.87 RAB9A (0.43) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL11693436 0.80 GSK3B (0.38) ALDH1A1SMN1; SMN2HPGDRAB9APOLB
SCHEMBL11694953 0.78 CYP3A4 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL12745077 0.77 KMT2A (0.47) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11694491 0.75 AKR1B1 (0.46) KMT2AALDH1A1MAPTKDM4EHPGD
SCHEMBL4557726 0.75 PPID (0.40) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL11694188 0.75 GSK3B (0.39) ALDH1A1SMN1; SMN2HPGDRAB9AHSD17B10
SCHEMBL11696212 0.74 CYP4F2 (0.38) RAB9ANPC1
SCHEMBL4991673 0.74 SMN1; SMN2 (0.73) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL17468447 0.74 ALDH1A1 (0.63) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A

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-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 — — US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 — — US disclosed
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