SCHEMBL3840320

SCHEMBL3840320

Nc1cc2ccccc2cc1CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
CYP1A2 P05177 3/20 0.47
KEAP1 Q14145 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.42
CYP2C19 P33261 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
AKR1B1 P15121 1/20 0.41
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL1162037 0.88 CYP1A2 (0.55) IDO1CYP1A2KDM4EFFAR1RPS6KB2
SCHEMBL14430419 0.79 FFAR1 (0.56) CYP1A2KEAP1CCNCCDK8PTGER1
SCHEMBL4273930 0.79 CYP1A2 (0.47) CYP1A2KEAP1CCNCCDK8PTGER1
SCHEMBL6928722 0.77 PTGER4 (0.55) CYP1A2KEAP1CCNCCDK8PTGER1
SCHEMBL89295 0.77 KEAP1 (0.54) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL15310451 0.77 IDO1 (0.42) IDO1CYP1A2KEAP1HPGDPOLB
SCHEMBL2333870 0.76 PTGER4 (0.58) CYP1A2KEAP1PTGER1PTGER4PTGER3
SCHEMBL3865670 0.76 NPSR1 (0.42) CYP1A2KEAP1CCNCCDK8PTGER1
SCHEMBL16735407 0.75 TDP1 (0.49) CYP1A2KEAP1CCNCCDK8PTGER1
SCHEMBL27834259 0.75 SLC2A1 (0.56) PTGER1PTGER4PTGER3PTGER2KDM4E

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
EP-1729823-B1 CONJUGATES OF ANGIOTENSIN PEPTIDIC ANALOGUES AND CHELATING AGENTS FOR DIAGNOSIS AND THERAPY GE HEALTHCARE AS (NO) 2009-11-04 EP disclosed
US-7431914-B2 Technetium-base radiopharmaceuticals; biocompatability; kits; in vivo imaging of a human or animal body GE HEALTHCARE AS (NO) 2008-10-07 US disclosed
EP-1729823-A2 CONJUGATES OF ANGIOTENSIN PEPTIDIC ANALOGUES AND CHELATING AGENTS FOR DIAGNOSIS AND THERAPY GE Healthcare AS (NO) 2006-12-13 EP disclosed
EP-1699494-A2 CONTRAST AGENT IMAGING ANGIOTENSIN II RECEPTORS GE Healthcare AS (NO) 2006-09-13 EP disclosed
EP-1699495-A2 CONJUGATES OF ANGIOTENSIN II AND AN IMAGING MOIETY Amersham Health AS (NO) 2006-09-13 EP disclosed
WO-2005084715-A2 CONJUGATES OF ANGIOTENSIN PEPTIDIC ANALOGUES AND CHELATING AGENTS FOR DIAGNOSIS AND THERAPY GE HEALTHCARE AS (NO) 2005-09-15 WO disclosed
WO-2005049095-A2 CONTRAST AGENT IMAGING ANGIOTENSIN II RECEPTORS AMERSHAM HEALTH AS (NO) 2005-06-02 WO disclosed
WO-2005044313-A2 CONJUGATES OF ANGIOTENSIN II AND AN IMAGING MOIETY AMERSHAM HEALTH AS (NO) 2005-05-19 WO disclosed
US-4537907-A 2-AMINO-3-NAPHTHYL PROPIONIC ACID UNIVERSITY OF ILLINOIS FOUNDATION (US) 1985-08-27 US disclosed