SCHEMBL11293265

SCHEMBL11293265

Clc1ccc2c(c1)C(NCCc1ccccc1)CC1(CCCC1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
BACE1 P56817 5/20 0.44
CTSD P07339 3/20 0.44
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL11239322 0.89 BACE1 (0.45) LMNABACE1CTSDTP53HTT
SCHEMBL11291814 0.87 LMNA (0.48) LMNABACE1CTSDGRIN2BTRPV1
SCHEMBL11285044 0.86 LMNA (0.47) LMNABACE1CTSDGRIN2BTRPV1
SCHEMBL11281586 0.83 LMNA (0.44) LMNABACE1CTSDTP53HTT
SCHEMBL11273325 0.82 LMNA (0.43) LMNABACE1CTSDHTTGRIN2B
SCHEMBL11275339 0.81 LMNA (0.55) LMNABACE1CTSDHTTGRIN2B
SCHEMBL11248305 0.81 OPRD1 (0.42) LMNABACE1CTSDGRIN2BTRPV1
SCHEMBL11287989 0.81 ALDH1A1 (0.44) LMNABACE1CTSDSMN1; SMN2NPSR1
SCHEMBL11481607 0.80 BACE1 (0.40) LMNABACE1CTSDTP53HTT
SCHEMBL11486948 0.78 TRPV1 (0.43) LMNABACE1CTSDTRPV1OPRD1

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