SCHEMBL7472046

SCHEMBL7472046

CCOc1ccc(NC(=O)C(O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
EGFR P00533 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL28812721 0.84 KLK7 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11588542 0.83 POLB (0.62) SMN1; SMN2HPGDMEN1KMT2APOLB
SCHEMBL7475660 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL26488 0.80 MAPT (0.65) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL29521360 0.79 POLB (0.68) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL19954280 0.79 POLB (0.68) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL18119719 0.79 MAPT (0.67) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL18086477 0.79 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31202693 0.79 POLB (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4104467 0.79 MAPT (0.76) NPC1RAB9ASMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed