SCHEMBL8394152

SCHEMBL8394152

COc1cc(CC=Cc2ccccc2C(=O)O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
PTGER2 P43116 3/20 0.46
PTGER3 P43115 3/20 0.44
CNR2 P34972 4/20 0.41
RARA P10276 3/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
FAAH O00519 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL8690499 0.92 RARA (0.48) PTGER4PTGER2PTGER3CNR2RARA
SCHEMBL8394256 0.86 PTGER4 (0.36) PTGER4PTGER2PTGER3CNR2RARA
SCHEMBL8696077 0.85 RARA (0.46) PTGER4PTGER2PTGER3RARARARB
SCHEMBL8690742 0.84 RARB (0.49) RARARARBRARGMEN1KMT2A
SCHEMBL8695721 0.81 PTGER3 (0.40) PTGER4PTGER2PTGER3CNR2RARA
SCHEMBL8696047 0.81 HDAC11 (0.36) PTGER4PTGER2PTGER3CNR2RARA
SCHEMBL8394155 0.79 MEN1 (0.45) CNR2RARARARBRARGFAAH
SCHEMBL8846282 0.76 S1PR1 (0.46) CNR2RARARARBRARGFAAH
SCHEMBL8394157 0.74 RARA (0.49) CNR2RARARARBRARGFAAH
SCHEMBL8394232 0.74 KDM4E (0.52) CNR2RARARARBRARGFAAH

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