SCHEMBL11044784

SCHEMBL11044784

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.57
CACNA2D1 P54289 1/20 0.40
LMNA P02545 2/20 0.38
S1PR1 P21453 3/20 0.37
P2RX7 Q99572 1/20 0.36
ADRA2A P08913 1/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL11065378 0.91 PLA2G2A (0.56) PLA2G2ACACNA2D1LMNAS1PR1P2RX7
SCHEMBL11065373 0.85 PLA2G2A (0.55) PLA2G2ALMNAS1PR1P2RX7TP53
SCHEMBL11045671 0.84 PLA2G2A (0.56) PLA2G2ALMNAHPGDRAB9A
SCHEMBL11047702 0.82 PLA2G2A (0.60) PLA2G2ALMNAS1PR1P2RX7
SCHEMBL11051562 0.82 PLA2G2A (0.54) PLA2G2ALMNAS1PR1NPC1RAB9A
SCHEMBL11047681 0.81 PLA2G2A (0.56) PLA2G2ALMNAS1PR1P2RX7TP53
SCHEMBL11047743 0.81 PLA2G2A (0.53) PLA2G2ACACNA2D1S1PR1
SCHEMBL11045600 0.78 PLA2G2A (0.56) PLA2G2ALMNANPC1RAB9AACHE
SCHEMBL11047656 0.77 PLA2G2A (0.50) PLA2G2AHPGD
SCHEMBL11049739 0.76 PLA2G2A (0.54) PLA2G2ALMNAS1PR1P2RX7TP53

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 6 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-4459407-A ANTICARCINOGENIC TOYAMA CHEMICAL CO., LTD. (JP) 1984-07-10 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