SCHEMBL8848331

SCHEMBL8848331

O=C(OCC1(COC(=O)Oc2ccccc2)CCC1)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 4/20 0.40
CYP2D6 P10635 4/20 0.40
USP2 O75604 3/20 0.40
TSHR P16473 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 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
SCHEMBL8309011 0.81 TSHR (0.39) CYP3A4ALDH1A1MAPK1CYP2D6USP2
SCHEMBL8521517 0.76 TSHR (0.42) CYP3A4ALDH1A1MAPK1CYP2D6USP2
SCHEMBL10025073 0.75 MAPT (0.46) ALDH1A1USP2KDM4EHPGD
SCHEMBL8646552 0.75 THRB (0.47) ALDH1A1TSHRSMN1; SMN2KDM4ERAB9A
Cyclohexane SCHEMBL23214149 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EFAAHRAB9A
SCHEMBL10025075 0.74 MAPT (0.44) ALDH1A1USP2KDM4EHPGD
SCHEMBL322125 0.74 MAPT (0.44) ALDH1A1USP2KDM4EHPGD
SCHEMBL6895096 0.74 MAPT (0.44) ALDH1A1USP2KDM4EHPGD
SCHEMBL8888100 0.72 KDM4E (0.41) CYP3A4ALDH1A1MAPK1USP2TSHR
SCHEMBL7307659 0.72 L3MBTL1 (0.40) CYP3A4ALDH1A1MAPK1CYP2D6USP2

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-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed
EP-0607374-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-07-27 EP disclosed
WO-1994000447-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-01-06 WO disclosed