SCHEMBL11323988

SCHEMBL11323988

COC(C)Oc1ccccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
SRC P12931 2/20 0.47
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
MEN1 O00255 2/20 0.46

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
2-Methoxybenzaldehyde SCHEMBL5070004 0.89 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL177279 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL8960246 0.84 CA1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL6706103 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL9723273 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL28570178 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL28061827 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL7762674 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL11384810 0.81 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL640294 0.81 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2LMNA

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-0027978-B1 AMINO DERIVATIVES OF 5-(2-HYDROXYSTYRYL) ISOXAZOLE, METHODS FOR THEIR PREPARATION AND THERAPEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1982-12-29 EP disclosed
EP-0005192-B1 ALKYLAMINOPROPANOL DERIVATIVES OF 3-ALKYL-5-(2-HYDROXYSTYRYL)-ISOXAZOLES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-12-30 EP disclosed
EP-0005186-B1 3-ALKYL-5-(2-HYDROXYSTYRYL)-ISOXAZOLES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1981-12-30 EP disclosed
US-4305951-A TREATMENT OF HYPERTONIA, CORONARY HEART DISEASE AND CARDIAC ARRHYTHMIA BASF AKTIENGESELLSCHAFT (DE) 1981-12-15 US disclosed
EP-0034754-A1 2-((3-amino-2-hydroxy-propoxy)-styryl) isoxazoles, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-09-02 EP disclosed
EP-0027978-A1 Amino derivatives of 5-(2-hydroxystyryl) isoxazole, methods for their preparation and therapeutical compositions containing them BASF Aktiengesellschaft (DE) 1981-05-06 EP disclosed
US-4251539-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1981-02-17 US disclosed
EP-0005186-A1 3-Alkyl-5-(2-hydroxystyryl)-isoxazoles and process for their preparation BASF Aktiengesellschaft (DE) 1979-11-14 EP disclosed
EP-0005192-A1 Alkylaminopropanol derivatives of 3-alkyl-5-(2-hydroxystyryl)-isoxazoles, processes for their preparation and therapeutical compositions containing them BASF Aktiengesellschaft (DE) 1979-11-14 EP disclosed