SCHEMBL8394256

SCHEMBL8394256

CCOC(OC)Oc1cc(CC=Cc2ccccc2C(=O)O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
PTGER2 P43116 2/20 0.36
PTGER3 P43115 2/20 0.35
CNR2 P34972 4/20 0.34
FAAH O00519 3/20 0.34
HDAC11 Q96DB2 1/20 0.33
RARA P10276 5/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32
GOT1 P17174 1/20 0.32
GLRA1 P23415 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
KMT2A Q03164 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
SCHEMBL8696047 0.93 HDAC11 (0.36) PTGER4PTGER2PTGER3CNR2FAAH
SCHEMBL8394410 0.87 RARA (0.39) CNR2FAAHHDAC11RARARARB
SCHEMBL8394152 0.86 PTGER4 (0.46) PTGER4PTGER2PTGER3CNR2FAAH
SCHEMBL8398155 0.85 CNR2 (0.34) CNR2FAAHHDAC11RARARARB
SCHEMBL8396527 0.83 PLA2G4A (0.35) CNR2FAAHHDAC11RARARARB
SCHEMBL8397766 0.83 RARA (0.46) CNR2FAAHHDAC11RARARARB
SCHEMBL8694379 0.81 HDAC11 (0.33) PTGER4PTGER2PTGER3HDAC11RARA
SCHEMBL8397789 0.81 CNR2 (0.35) CNR2FAAHRARARARBRARG
SCHEMBL8690499 0.81 RARA (0.48) PTGER4PTGER2PTGER3CNR2FAAH
SCHEMBL8397835 0.80 KDM4E (0.43) CNR2FAAHRARARARBRARG

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
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US claimed
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed