SCHEMBL11039841

SCHEMBL11039841

CC(CO)c1cc(Cl)c(N2CCCCC2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
RECQL P46063 2/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A3 P47895 1/20 0.35
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
KCNQ2 O43526 1/20 0.32
APAF1 O14727 1/20 0.32

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
SCHEMBL11042080 0.86 MAPK1 (0.43) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL11041265 0.85 ALDH1A1 (0.39) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL11080600 0.82 KDM4E (0.42) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL11040186 0.78 KDM4E (0.40) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL11040733 0.78 KDM4E (0.36) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL11043189 0.72 ALDH1A1 (0.42) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL10982606 0.69 HSP90AA1 (0.49) KDM4ERECQLALDH1A1POLBLMNA
SCHEMBL10985368 0.68 ALDH1A1 (0.41) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL10987800 0.67 KDM4E (0.41) KDM4ERECQLALDH1A1POLBNPSR1
SCHEMBL11037856 0.66 KDM4E (0.39) KDM4ERECQLALDH1A1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP claimed
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed