SCHEMBL11516559

SCHEMBL11516559

[CH]=CC(O)C(C)(C)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CA4 P22748 1/20 0.32
▸ PPARG P37231 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ ADRB3 P13945 4/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ CASR P41180 1/20 0.30
▸ LTA4H P09960 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL11518124 0.82 CASR (0.36) ALDH1A1MEN1KMT2AADRB3ADRB2
SCHEMBL11623635 0.80 CETP (0.41) LMNA
SCHEMBL11516078 0.80 OGG1 (0.38) LMNAL3MBTL1KMT2ACASR
SCHEMBL11517432 0.78 ATM (0.40) L3MBTL1ATMPPARGALDH1A1PPARA
SCHEMBL11663924 0.76 CA4 (0.35) L3MBTL1ATMCA4LTA4H
SCHEMBL11663267 0.76 LMNA (0.45) LMNACYP2D6L3MBTL1ATMCA4
SCHEMBL11616008 0.73 LMNA (0.35) LMNACYP2D6L3MBTL1ATMCA4
SCHEMBL13815444 0.72 LMNA (0.41) LMNACYP2D6L3MBTL1ATMPPARG
SCHEMBL17877182 0.71 MAPK1 (0.41) LMNACYP2D6L3MBTL1ATMCA4
SCHEMBL11611192 0.70 LMNA (0.40) LMNACYP2D6L3MBTL1ATMPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29926-E 2-Decarboxy-2-hydroxy-methyl-16-fluoro-PGE1 compounds THE UPJOHN COMPANY (US) 1979-03-06 — — US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4055602-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1977-10-25 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 — — US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
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