SCHEMBL11373785

SCHEMBL11373785

CCCOc1ccc(C(=O)C(O)c2ccc(OCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ PLK1 P53350 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TSHR P16473 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MITF O75030 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NLRP1 Q9C000 1/20 0.50
▸ TP53 P04637 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ ACACB O00763 4/20 0.48
▸ ACACA Q13085 2/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48

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
SCHEMBL11557533 0.94 TP53 (0.55) L3MBTL1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL10766584 0.88 LTA4H (0.55) SMN1; SMN2LMNAMAPK1TSHRTP53
SCHEMBL30887385 0.87 PARP10 (0.56) L3MBTL1PLK1SMN1; SMN2LMNAKMT2A
SCHEMBL2299624 0.87 PARP10 (0.56) L3MBTL1PLK1SMN1; SMN2LMNAKMT2A
SCHEMBL10996690 0.85 L3MBTL1 (0.60) L3MBTL1PLK1SMN1; SMN2LMNAMAPT
SCHEMBL8323514 0.83 L3MBTL1 (0.53) L3MBTL1PLK1SMN1; SMN2LMNAKMT2A
SCHEMBL3685459 0.83 L3MBTL1 (0.53) L3MBTL1PLK1SMN1; SMN2LMNAKMT2A
SCHEMBL10995367 0.83 L3MBTL1 (0.58) L3MBTL1PLK1SMN1; SMN2LMNAMAPT
SCHEMBL12114015 0.83 L3MBTL1 (0.54) L3MBTL1LMNAMAPTMAPK1TSHR
SCHEMBL11680771 0.81 L3MBTL1 (0.60) L3MBTL1PLK1SMN1; SMN2LMNAMAPT

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
US-4263311-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1981-04-21 — — US disclosed
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