SCHEMBL9023017

SCHEMBL9023017

CC(C)(C)OP(=O)(O)C(C(=O)O)(P(=O)(O)OC(C)(C)C)P(=O)(O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL774999 0.83 ALDH1A1 (0.35) ALDH1A1TSHRLMNA
SCHEMBL9023021 0.77 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL8768693 0.76
SCHEMBL138696 0.75 L3MBTL1 (0.32) ALDH1A1TSHRLMNA
SCHEMBL13976468 0.74 LMNA (0.36) ALDH1A1LMNA
SCHEMBL4713920 0.71
SCHEMBL98777 0.70 TSHR (0.40) TSHR
SCHEMBL332472 0.68
SCHEMBL27570533 0.68 LMNA (0.40) ALDH1A1LMNA
SCHEMBL243552 0.68 LMNA (0.40) ALDH1A1LMNA

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-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed