SCHEMBL7520103

SCHEMBL7520103

COc1cc(C)c(C(=O)c2c(OC(F)F)ccc3ccccc23)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.50
CNR2 P34972 3/20 0.42
CNR1 P21554 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A1 P04798 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7521840 0.90 CTSD (0.57) CTSDCNR2CNR1KDM4EABCG2
SCHEMBL7601885 0.85 CTSD (0.51) CTSDCNR2CNR1KDM4EABCG2
SCHEMBL7523761 0.80 NPC1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL23499947 0.75 CNR2 (0.59) CTSDCNR2CNR1KDM4EABCG2
SCHEMBL27813524 0.74 ACHE (0.45) KDM4EHTTMEN1KMT2AHPGD
SCHEMBL7601071 0.73 CTSD (0.45) CTSDKDM4EMEN1KMT2AALDH1A1
SCHEMBL7943881 0.72 ATM (0.54) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7519964 0.72 KRAS (0.47) KDM4EABCG2HTTMEN1KMT2A
SCHEMBL6739738 0.70 ALDH1A1 (0.40) KDM4EHTTMEN1KMT2AHPGD
SCHEMBL6740389 0.70 KCNB1 (0.47) NPC1ABCG2KMT2A

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-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP claimed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US claimed
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 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-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US disclosed
US-5922905-A INTERMEDIATES FOR FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP disclosed