SCHEMBL8778311

SCHEMBL8778311

Cc1cc(C)cc(OCC(C)O)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
KMT2A Q03164 5/20 0.49
TSHR P16473 1/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOS2 P35228 1/20 0.36

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
SCHEMBL10629830 0.91 LMNA (0.47) LMNAKMT2ATSHRADRB2ADRB1
SCHEMBL28058289 0.86 LMNA (0.64) LMNATSHRADRB2ADRB1HPGD
SCHEMBL10635886 0.81 LMNA (0.53) LMNAKMT2ATSHRTP53HPGD
SCHEMBL1496566 0.80 ADRB2 (0.65) LMNAKMT2AADRB2ADRB1MEN1
SCHEMBL30416351 0.80 ADRB2 (0.65) LMNAKMT2AADRB2ADRB1MEN1
SCHEMBL13234849 0.79 KMT2A (0.54) KMT2ATSHRADRB2ADRB1HPGD
SCHEMBL4294603 0.79 TSHR (0.54) LMNAKMT2ATSHRADRB2ADRB1
Hydrochloric Acid SCHEMBL9142587 0.79 ADRB2 (0.63) LMNAKMT2ATSHRADRB2ADRB1
SCHEMBL14570065 0.78 LMNA (0.67) LMNAKMT2ATSHRMEN1SMN1; SMN2
SCHEMBL1735307 0.78 SCN4A (0.47) LMNAKMT2ATSHR

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
US-5420352-A Reaction of alcohol with ammonia to form amine in a solvent in the presence of copper chromium catalyst and hydrogen IDEMITSU KOSAN CO., LTD. (JP) 1995-05-30 US claimed
JP-4334355-A None JP disclosed
EP-0619294-B1 PROCESS FOR PRODUCING 1-PHENOXY-2-AMINOPROPANE IDEMITSU KOSAN CO (JP) 1997-12-29 EP disclosed
US-5420352-A Reaction of alcohol with ammonia to form amine in a solvent in the presence of copper chromium catalyst and hydrogen IDEMITSU KOSAN CO., LTD. (JP) 1995-05-30 US disclosed
EP-0492615-B1 Process for producing biguanide derivative IDEMITSU KOSAN CO (JP) 1995-03-08 EP disclosed
EP-0619294-A1 PROCESS FOR PRODUCING 1-PHENOXY-2-AMINOPROPANE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-10-12 EP disclosed
US-5286905-A Heating hydrogen halide salt of phenoxyalkylamine with dicyandiamide in paraffinic hydrocarbon solvent IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-02-15 US disclosed
JP-H04334355-A PRODUCTION OF 1-(3,5-DIMETHYLPHENOXY)-2-AMINOPROPANE IDEMITSU KOSAN CO LTD 1992-11-20 JP disclosed
EP-0492615-A1 Process for producing biguanide derivative IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-01 EP disclosed