SCHEMBL7979213

SCHEMBL7979213

CCCc1ccc2c(c1)COO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GSK3B P49841 1/20 0.38
MTNR1A P48039 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
HTR2A P28223 1/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL11696008 0.87 PPARA (0.43) HTR2CLPLLIPGHTR2AALOX5
SCHEMBL11695329 0.82 KDM4E (0.41) GSK3BTAAR1ALOX5MAPTALDH1A1
SCHEMBL11695103 0.80 GSK3B (0.32) GSK3BALOX5
SCHEMBL1641530 0.79 CALM1 (0.35) GSK3BALOX5MAPTALDH1A1CYP3A4
SCHEMBL11694953 0.79 CYP3A4 (0.43) GSK3BNPC1MAPTRAB9AALDH1A1
SCHEMBL9151174 0.79 GSK3B (0.30) GSK3B
SCHEMBL11696080 0.78 MEN1 (0.46) TAAR1
SCHEMBL11694951 0.78 GSK3B (0.31) GSK3BTAAR1
SCHEMBL11696212 0.78 CYP4F2 (0.38) GSK3BNPC1RAB9ACYP3A4
SCHEMBL3047306 0.78 TAAR1 (0.34) GSK3BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252092-B1 CATALYTIC HYDROGENATION OF 4-ACYLPHENOL; ACETYLATION; REACTING WITH A LEWIS ACID; THEN HYDROGEN PEROXIDE; CYCLIZATION ENDURA S.P.A. (IT) 2001-06-26 US disclosed
EP-1048664-A2 Process for the synthesis of 5-allybenzodioxoles ENDURA S.p.A. (IT) 2000-11-02 EP disclosed
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