SCHEMBL9515186

SCHEMBL9515186

C=CCC(=O)Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CAMK2A Q9UQM7 1/20 0.52
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CTBP2 P56545 1/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SHBG P04278 1/20 0.42
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
SENP1 Q9P0U3 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL11345973 0.82 CES2 (0.40) CA2CAMK2ACYP1A2CYP2D6MAPK1
SCHEMBL9630131 0.82 TGM2 (0.47) NPC1RAB9ACYP1A2CYP2D6MAPK1
SCHEMBL2456680 0.82 CES1 (0.52) FNTAFNTBCTBP2MAPK1LMNA
SCHEMBL6557829 0.82 CA2 (0.54) CA2CAMK2AFNTAFNTBCTBP2
SCHEMBL7150590 0.80 CA2 (0.68) CA2CAMK2AFNTAFNTBCTBP2
SCHEMBL7174072 0.79 KDM4E (0.56) CA2HSD17B10LMNAMEN1KMT2A
SCHEMBL14075477 0.79 LMNA (0.54) CA2CAMK2AFNTAFNTBNPC1
SCHEMBL9339427 0.78 SMN1; SMN2 (0.43) CA2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8656429 0.78 SMN1; SMN2 (0.55) CTBP2NPC1SMN1; SMN2LMNA
SCHEMBL8966426 0.77 CA2 (0.48) CA2CAMK2AFNTAFNTBCTBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236624-B1 SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-08-11 EP disclosed
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed
EP-0095827-B1 N-SUBSTITUTED DERIVATIVES OF ETHANOL AMINE BEECHAM GROUP PLC (GB) 1985-07-24 EP disclosed
EP-0095827-A1 N-substituted derivatives of ethanol amine BEECHAM GROUP PLC (GB) 1983-12-07 EP disclosed
EP-0023385-B1 ETHANAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-12-15 EP disclosed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US disclosed
EP-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 EP disclosed