SCHEMBL6605876

SCHEMBL6605876

COC(=O)c1c(OC)c(C)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NCEH1 Q6PIU2 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NR4A2 P43354 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ERN1 O75460 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL6602798 0.86 KDM4E (0.58) HPGDALDH1A1KDM4ENPSR1MEN1
SCHEMBL29039907 0.85 HPGD (0.54) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL6605181 0.83 HPGD (0.56) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL10559440 0.81 ALDH1A1 (0.59) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL2777918 0.81 MEN1 (0.60) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL17509446 0.81 TSHR (0.48) HPGDALDH1A1KDM4ENPSR1HSD17B10
SCHEMBL6229441 0.80 ALDH1A1 (0.52) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL6605254 0.79 ALDH1A1 (0.51) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL27718061 0.78 ALDH1A1 (0.55) HPGDALDH1A1KDM4ENPSR1NCEH1
SCHEMBL1648076 0.77 NCEH1 (0.59) HPGDALDH1A1KDM4ENPSR1NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed