SCHEMBL11664301

SCHEMBL11664301

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.33
▸ PPARG P37231 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PPARA Q07869 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PDK1 Q15118 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
SCHEMBL11662943 0.81 NFE2L2 (0.35) ALDH1A1PPARA
SCHEMBL11664095 0.80 PGR (0.37) LMNA
SCHEMBL1022162 0.75 CA4 (0.39) CA4PPARGALDH1A1L3MBTL1MEN1
SCHEMBL6779038 0.75 CA4 (0.39) CA4PPARGALDH1A1L3MBTL1MEN1
SCHEMBL27617060 0.75 CA4 (0.39) CA4PPARGALDH1A1L3MBTL1MEN1
Boric Acid SCHEMBL28167570 0.72 CA1 (0.36) CA4PPARGALDH1A1L3MBTL1MEN1
SCHEMBL28993181 0.72 CA4 (0.36) CA4PPARGALDH1A1L3MBTL1MEN1
SCHEMBL7533166 0.72 CA4 (0.36) CA4PPARGALDH1A1L3MBTL1MEN1
SCHEMBL12359993 0.72 CA4 (0.43) CA4PPARGALDH1A1L3MBTL1MEN1
SCHEMBL675061 0.72 CA4 (0.43) CA4PPARGALDH1A1L3MBTL1MEN1

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-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
Send feedback