SCHEMBL11045671

SCHEMBL11045671

CCCCCCN1CCN(Cc2ccc(NC(C)=O)cc2)C(=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.56
ALDH1A1 P00352 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL11051562 0.86 PLA2G2A (0.54) PLA2G2APOLBLMNARAB9A
SCHEMBL11065373 0.84 PLA2G2A (0.55) PLA2G2APOLBLMNARAB9AHPGD
SCHEMBL11044784 0.84 PLA2G2A (0.57) PLA2G2ALMNARAB9AHPGD
SCHEMBL11065378 0.82 PLA2G2A (0.56) PLA2G2ALMNARAB9AHPGD
SCHEMBL11047702 0.79 PLA2G2A (0.60) PLA2G2ALMNA
SCHEMBL11046731 0.78 PLA2G2A (0.47) PLA2G2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11047743 0.78 PLA2G2A (0.53) PLA2G2AKMT2A
SCHEMBL11047681 0.78 PLA2G2A (0.56) PLA2G2ALMNAKMT2A
SCHEMBL11045600 0.75 PLA2G2A (0.56) PLA2G2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL11047656 0.74 PLA2G2A (0.50) PLA2G2AALDH1A1KMT2AHPGD

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
US-4477666-A ANTICARCINO GENIC AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4477664-A CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4460774-A ANTICARCINOGENIC AGENTS TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1984-07-17 US disclosed
US-4448963-A ANTICARCINOGENS TOYAMA CHEMICAL CO., LTD. (JP) 1984-05-15 US disclosed
US-4436921-A CARCINOSTATIC ACTIVITY TOYAMA CHEMICAL CO., LTD. (JP) 1984-03-13 US disclosed