SCHEMBL11699552

SCHEMBL11699552

O=[N+]([O-])C=Cc1ccc2c(c1)COO2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 6/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MTOR P42345 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ FBP1 P09467 12/20 0.49
▸ EGFR P00533 3/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ ABL2 P42684 1/20 0.47
▸ MITF O75030 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ GALR2 O43603 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11694805 0.76 XDH (0.43) VCPNPC1MTORRAB9AALDH1A1
SCHEMBL16785316 0.76 VCP (0.61) VCPNPC1MTORRAB9AFBP1
SCHEMBL18579319 0.76 VCP (0.61) VCPNPC1MTORRAB9AFBP1
SCHEMBL3691054 0.76 CYP3A4 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL3691057 0.76 CYP3A4 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL11697542 0.75 EGFR (0.52) VCPNPC1MTORRAB9AFBP1
SCHEMBL11693672 0.74 RELA (0.43) —
SCHEMBL3579764 0.74 KDM4E (0.56) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2742581 0.73 VCP (0.82) VCPNPC1MTORRAB9AFBP1
SCHEMBL744717 0.73 NPC1 (1.00) VCPNPC1MTORRAB9AFBP1

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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