SCHEMBL9853794

SCHEMBL9853794

COC(=O)Cc1ccccc1Oc1cnccc1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
POLB P06746 1/20 0.39
CXCL8 P10145 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSPO P30536 2/20 0.38
OPRK1 P41145 2/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HPGD P15428 1/20 0.37
RCE1 Q9Y256 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9853829 0.81 LMNA (0.45) ALDH1A1TDP1GAAPOLBMEN1
SCHEMBL9853824 0.79 KDM4C (0.38) KDM4EGAAKDM4CPOLB
SCHEMBL9853814 0.79 KDM4C (0.39) KDM4EALDH1A1TDP1GLAGAA
Oxalic Acid SCHEMBL9853811 0.79 KDM4C (0.42) KDM4EALDH1A1TDP1KDM4CCXCL8
SCHEMBL9853795 0.77 ALDH1A1 (0.57) KDM4EALDH1A1TDP1GLAGAA
SCHEMBL9488096 0.77 PTGS1 (0.50) ALDH1A1KDM4CDGAT2TSPOOPRK1
Hydrochloric Acid SCHEMBL9853808 0.76 ALDH1A1 (0.56) KDM4EALDH1A1TDP1GLAGAA
SCHEMBL18808055 0.76 ALDH1A1 (0.54) KDM4EALDH1A1TDP1GLAGAA
SCHEMBL837233 0.73 RIPK1 (0.51) KDM4EALDH1A1TDP1GAAPOLB
Hydrochloric Acid SCHEMBL29061400 0.73 ALDH1A1 (0.46) KDM4EALDH1A1GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US claimed
EP-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US disclosed