SCHEMBL11245567

SCHEMBL11245567

COc1ccc2c(c1)C(NCc1ccccc1)CC1(CCCCC1)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.45
CTSD P07339 4/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ENPP2 Q13822 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL11245385 0.93 ALDH1A1 (0.44) BACE1CTSDALDH1A1MAPTLMNA
SCHEMBL11474807 0.90 IDO1 (0.41) BACE1CTSDALDH1A1MAPTHTT
SCHEMBL11258860 0.87 TRPV1 (0.44) BACE1CTSDLMNAHPGDMEN1
SCHEMBL11246927 0.85 BACE1 (0.42) BACE1CTSDMAPTLMNAKDM4E
SCHEMBL11474805 0.84 IDO1 (0.41) BACE1CTSDALDH1A1KDM4EMEN1
SCHEMBL11480892 0.84 IDO1 (0.41) BACE1CTSDALDH1A1KDM4EMEN1
SCHEMBL11247074 0.84 IDO1 (0.41) BACE1CTSDALDH1A1KDM4EMEN1
SCHEMBL11249928 0.84 TRPV1 (0.44) BACE1CTSDLMNAKMT2ATRPV1
SCHEMBL11245449 0.83 TRPV1 (0.45) BACE1CTSDLMNAKMT2ATRPV1
SCHEMBL11486581 0.82 ALDH1A1 (0.41) BACE1CTSDALDH1A1MAPTKDM4E

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