SCHEMBL7846620

SCHEMBL7846620

CC(C)(C)OC(=O)Nc1ccc2c(c1C(=O)O)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EDNRA P25101 2/20 0.35
EDNRB P24530 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL3549192 0.83 NPC1 (0.41) NPC1RAB9AKDM4EHPGDBCL2
SCHEMBL4487068 0.80 KDM4E (0.49) NPC1RAB9AKDM4EHPGDBCL2
SCHEMBL26148249 0.76 CA12 (0.40) NPC1RAB9AKDM4EHPGDBRD9
SCHEMBL4481762 0.75 NPC1 (0.41) NPC1RAB9AKDM4EHPGDBCL2
SCHEMBL3275997 0.75 ACVRL1 (0.48) NPC1RAB9AKDM4EHPGD
SCHEMBL4487659 0.75 AOC3 (0.42) NPC1RAB9AKDM4EHPGDBCL2
SCHEMBL24819174 0.75 AAK1 (0.37) NPC1RAB9AKDM4EHPGDBRD9
SCHEMBL30882153 0.75 AAK1 (0.37) NPC1RAB9AKDM4EHPGDBRD9
SCHEMBL30882154 0.75 AAK1 (0.37) NPC1RAB9AKDM4EHPGDBRD9
SCHEMBL25909101 0.75 CYP17A1 (0.37) NPC1RAB9AKDM4EHPGDBRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805812-B1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2001-06-13 EP disclosed
US-5792767-A TREATMENT OF BENIGN PROSTATIC HYPERTROPY ABBOTT LABORATORIES (US) 1998-08-11 US disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed