SCHEMBL7921132

SCHEMBL7921132

Cc1nc(-c2ccccc2)nn1CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 8/20 0.53
NR1H2 P55055 5/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL14736606 0.83 NR1H3 (0.53) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL2035921 0.83 NR1H3 (0.45) NR1H3NR1H2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL14736512 0.82 NR1H3 (0.51) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL14736124 0.80 PDE10A (0.59) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL14736604 0.76 TSHR (0.53) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL2181905 0.75 RAF1 (0.77) RAB9ANPC1ALDH1A1LMNACASP3
SCHEMBL16202035 0.74 NR1H3 (0.71) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL2035500 0.72 NR1H3 (0.58) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL2036841 0.72 NR1H3 (0.44) NR1H3NR1H2RAB9ANPC1ALDH1A1
SCHEMBL19196304 0.71 NR1H3 (0.51) NR1H3NR1H2RAB9ANPC1ALDH1A1

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
CN-1093124-C Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 2002-10-23 CN disclosed
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
CN-1218460-A Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 1999-06-02 CN disclosed