SCHEMBL22060610

SCHEMBL22060610

CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)C[C@H](CO)[C@@H]1Cc1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.36
▸ TBXA2R P21731 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PTGER2 P43116 2/20 0.31
▸ PTGER3 P43115 1/20 0.31
▸ PTGIR P43119 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31
▸ UBA2 Q9UBT2 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ABCC4 O15439 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
SCHEMBL20994733 0.91 — —
SCHEMBL20536873 0.91 — —
SCHEMBL20536871 0.91 — —
SCHEMBL20994229 0.89 PTGIR (0.39) PTGER4ALDH1A1PTGIRLMNAHPGD
SCHEMBL20218734 0.81 MEN1 (0.32) ALDH1A1PTGIRLMNAHPGDTSHR
SCHEMBL20536595 0.81 MEN1 (0.32) ALDH1A1PTGIRLMNAHPGDTSHR
SCHEMBL20536596 0.81 MEN1 (0.32) ALDH1A1PTGIRLMNAHPGDTSHR
SCHEMBL20536955 0.79 — —
SCHEMBL20536953 0.79 — —
SCHEMBL14732832 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483168-B1 PROCESSES FOR PREPARING CYCLOPENTA[B]NAPHTHALENOL DERIVATIVES AND INTERMEDIATES THEREOF CHIROGATE INT INC (TW) 2020-06-03 — — EP disclosed
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