SCHEMBL6602798

SCHEMBL6602798

COc1c(C)cc2ccccc2c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
GLA P06280 1/20 0.58
CDC25B P30305 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ERN1 O75460 1/20 0.44
DHODH Q02127 1/20 0.44
CTSD P07339 1/20 0.43
ATM Q13315 2/20 0.43
ALOX15 P16050 1/20 0.42
PDE10A Q9Y233 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL8817413 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6605876 0.86 HPGD (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1671183 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6603117 0.83 HPGD (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL17509531 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7181506 0.81 MEN1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6604466 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5823725 0.80 DHODH (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7812363 0.80 CYP1A2 (0.60) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL497405 0.80 KMT2A (0.66) KDM4EALDH1A1HPGDHSD17B10MEN1

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 5 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
US-6001883-A SUBSTITUTED BENZOPHENONES OF GIVEN FORMULA, SUCH AS 6,6'-DIMETHYL-2,2',3',4'-TETRAMETHOXY-5-TRIFLUOROMETHYL-BENZOPHENONE; HIGHLY SYSTEMIC FUNGICIDES; CONTROLLING FUNGAL DISEASE SUCH AS POWDERY MILDEW IN PLANTS AMERICAN CYANAMID COMPANY (US) 1999-12-14 US disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
US-4590290-A REACTING DIMETHYL SULFATE WITH G-HYDROXY-1-NAPHTHOIC ACID AMERICAN CYANAMID COMPANY (US) 1986-05-20 US disclosed