SCHEMBL7937733

SCHEMBL7937733

COc1ccc(-c2ccc3ccccc3c2Oc2ccc([N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
PDE7A Q13946 1/20 0.41
LMNA P02545 3/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
NPBWR1 P48145 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
SCHEMBL7937699 0.91 ABCG2 (0.49) MAPTSMN1; SMN2NPC1RAB9APTGS2
SCHEMBL7940253 0.90 TLR9 (0.44) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL7935041 0.84 ADORA2A (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7937717 0.83 ABCG2 (0.49) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL7940260 0.82 TLR9 (0.42) MAPTHPGDPTGS2PDE7AADORA3
SCHEMBL8496759 0.79 ALDH1A1 (0.39) NPC1RAB9APTGS2PTGS1LMNA
SCHEMBL7182545 0.79 ESR1 (0.52) HPGDSMN1; SMN2ABCG2ALDH1A1KDM4E
SCHEMBL7182554 0.79 ESR1 (0.52) HPGDSMN1; SMN2ABCG2ALDH1A1KDM4E
SCHEMBL8499012 0.78 NPBWR1 (0.40) PTGS2PTGS1ADORA2ANPBWR1ALDH1A1
SCHEMBL7940195 0.78 HSPB1 (0.46) MAPTPTGS2PTGS1MEN1KMT2A

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-0835868-B1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods LILLY CO ELI (US) 2001-08-29 EP disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed