SCHEMBL11244401

SCHEMBL11244401

CCCCNC1CC2(CCCC2)Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 8/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
OPRD1 P41143 4/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.37
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 3/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL11253460 0.95 KMT2A (0.44) KMT2ATRPV1BCHEACHEBACE1
SCHEMBL11251510 0.95 KMT2A (0.44) KMT2ATRPV1BCHEACHEBACE1
SCHEMBL11253499 0.95 KMT2A (0.44) KMT2ATRPV1BCHEACHEBACE1
SCHEMBL11244375 0.95 KMT2A (0.44) KMT2ATRPV1BCHEACHEBACE1
SCHEMBL11271692 0.86 KMT2A (0.49) KMT2ATRPV1BACE1CTSDOPRD1
SCHEMBL11245898 0.86 KMT2A (0.43) KMT2ATRPV1BACE1CTSDOPRD1
SCHEMBL11251446 0.86 KMT2A (0.43) KMT2ATRPV1BACE1CTSDOPRD1
SCHEMBL11488404 0.84 KMT2A (0.43) KMT2ATRPV1BACE1CTSDOPRD1
SCHEMBL11481865 0.84 KMT2A (0.43) KMT2ATRPV1BACE1CTSDOPRD1
SCHEMBL11282992 0.83 KMT2A (0.44) KMT2ATRPV1BACE1CTSDOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001428-B1 INSECTICIDAL AND ACARICIDAL AGENTS CONTAINING CHROMAN DERIVATIVES, THEIR PREPARATION AND THEIR USE, AS WELL AS CHROMAN DERIVATIVES AND THEIR PREPARATION BAYER AG (DE) 1982-03-24 EP disclosed
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
EP-0001428-A1 Insecticidal and acaricidal agents containing chroman derivatives, their preparation and their use, as well as chroman derivatives and their preparation BAYER AG (DE) 1979-04-18 EP disclosed