SCHEMBL7849963

SCHEMBL7849963

COc1cccc2c1CCC=C2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
ACHE P22303 1/20 0.43
NOTUM Q6P988 1/20 0.42
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8804980 0.93 NPC1 (0.44) NPC1RAB9ACA12CA1CA2
SCHEMBL5847311 0.88 MAPT (0.47) NPC1RAB9ACA1CA2KDM4E
SCHEMBL9621352 0.80 KDM4E (0.54) CA12CA1CA2CA7CA9
SCHEMBL5208400 0.77 SIGMAR1 (0.55) NPC1RAB9AKDM4ELMNAPOLB
SCHEMBL13167578 0.77 SIGMAR1 (0.44) CA1CA2KDM4ELMNAPOLB
SCHEMBL10041966 0.77 KDM4E (0.51) NPC1RAB9AKDM4ELMNAPOLB
SCHEMBL21822788 0.76 SIGMAR1 (0.43) CA1CA2KDM4ELMNAPOLB
SCHEMBL15666456 0.76 PARP10 (0.46) ALDH1A1HPGDHSD17B10
SCHEMBL13185550 0.73 SIGMAR1 (0.53) KDM4ELMNAPOLBMAPTSIGMAR1
SCHEMBL12086775 0.73 SIGMAR1 (0.45) KDM4ELMNAPOLBMAPTSIGMAR1

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 7 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
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
US-5792767-A TREATMENT OF BENIGN PROSTATIC HYPERTROPY ABBOTT LABORATORIES (US) 1998-08-11 US disclosed
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
US-5521181-A Bicyclic substituted hexahydrobenz[e]isoindole α-1 adrenergic antagonists ABBOTT LABORATORIES (US) 1996-05-28 US disclosed