SCHEMBL9502725

SCHEMBL9502725

CCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
NR1I2 O75469 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
EPHX1 P07099 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
SCHEMBL29788633 0.88 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL2046715 0.88 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL7949549 0.86 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL30105372 0.86 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL9504944 0.85 HTT (0.56) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL29365745 0.84 CYP2C19 (0.52) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL30298079 0.84 CYP2C19 (0.52) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL208693 0.84 CYP2C19 (0.52) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL30182959 0.84 CYP2C19 (0.52) CYP1A2CYP2C19CYP2C9NR1I2MAPT
SCHEMBL19506999 0.81 MEN1 (0.55) CYP1A2CYP2C19CYP2C9NR1I2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303988-B1 POLYMER BOUND UV STABILIZERS ATOCHEM NORTH AMERICA, INC. (US) 1993-05-12 EP disclosed
US-5206378-A Ultraviolet light stabilizers ELF ATOCHEM NORTH AMERICA, INC. (US) 1993-04-27 US disclosed
EP-0303986-B1 MULTIPURPOSE POLYMER BOUND STABILIZERS ATOCHEM NORTH AMERICA, INC. (US) 1992-07-29 EP disclosed
US-5096974-A Reacting primary amino or hydrazido-substituted stabilizers with maleic anhydride polymers; nonextractable and nonvolatile in polymer blends ATOCHEM NORTH AMERICA, INC. (US) 1992-03-17 US disclosed
US-5096977-A Anhydride polymers ATOCHEM NORTH AMERICA, INC. (US) 1992-03-17 US disclosed
US-4981915-A HYDRAZIDE MODIFIERS ATOCHEM NORTH AMERICA, INC. (US) 1991-01-01 US disclosed
US-4981914-A HYDRAZIDE MODIFIERS ATOCHEM NORTH AMERICA, INC. (US) 1991-01-01 US disclosed
US-4868246-A PRIMARY AMINO OR HYDRAZIDO UV ABSORBERS CHEMICALLY BOUND TO POLYMER ANHYDRIDE GROUPS PENNWALT CORPORATION (US) 1989-09-19 US disclosed
US-4863999-A IMIDES OR AMIC ACIDS OF ANHDRIDE POLYMERS PENNWALT CORPORATION (US) 1989-09-05 US disclosed
EP-0303986-A2 Multipurpose polymer bound stabilizers ATOCHEM NORTH AMERICA, INC. (US) 1989-02-22 EP disclosed