SCHEMBL18404110

SCHEMBL18404110

C=C/C=C(\C=C(/C)O)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KCNK3 O14649 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KCNK9 Q9NPC2 2/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35
▸ ACHE P22303 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
SCHEMBL22808116 0.86 TDP1 (0.41) PARP1SMN1; SMN2TDP1TP53HDAC8
SCHEMBL14541399 0.83 AKT1 (0.38) TDP1MAPTALDH1A1MEN1KMT2A
SCHEMBL22548658 0.79 PARP1 (0.41) PARP1SMN1; SMN2TDP1TP53HDAC8
SCHEMBL16994800 0.77 PARP1 (0.43) PARP1SMN1; SMN2TDP1TP53HDAC8
SCHEMBL22294791 0.73 ELANE (0.37) PARP1SMN1; SMN2TDP1POLBMAPT
SCHEMBL25467855 0.70 DEGS1 (0.39) SMN1; SMN2TP53MEN1KMT2AHPGD
SCHEMBL17726089 0.70 PARP1 (0.42) PARP1SMN1; SMN2TDP1TP53HDAC8
SCHEMBL15471903 0.70 PARP1 (0.46) PARP1SMN1; SMN2TDP1HDAC8HDAC6
SCHEMBL16952628 0.70 TDP1 (0.52) PARP1SMN1; SMN2TDP1TP53HDAC8
SCHEMBL14851433 0.69 AKT1 (0.35) PARP1TDP1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439191-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI CHEMICAL IND (JP) 2017-01-25 — — EP disclosed
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