SCHEMBL11819568

SCHEMBL11819568

Cc1nc(Oc2ccccc2)ccc1C(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.40
▸ GPR88 Q9GZN0 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ACACB O00763 2/20 0.37
▸ CTSA P10619 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B14 Q9BPX1 1/20 0.37
▸ RXRA P19793 1/20 0.37

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
SCHEMBL11814009 0.75 PTGS1 (0.49) PTGS1KDM4EHRH3NPC1RAB9A
SCHEMBL6120808 0.73 NNMT (0.64) EGLN1KDM4ENPC1RAB9AALDH1A1
SCHEMBL11169364 0.73 MAPT (0.49) EGLN1KDM4ENPC1ALDH1A1GAA
SCHEMBL5575614 0.72 PTGS2 (0.43) PTGS1CYP1A2CYP2C9LMNA
SCHEMBL18960378 0.72 MEN1 (0.46) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL11410948 0.72 PTGS1 (0.55) PTGS1HRH3ACACBCTSAGRN
SCHEMBL19808897 0.72 TDP1 (0.51) EGLN1KDM4ENPC1RAB9AALDH1A1
SCHEMBL11808573 0.71 PTGS1 (0.45) PTGS1HRH3ACACBCTSAGRN
SCHEMBL1345669 0.71 PTGS1 (0.54) PTGS1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL3817959 0.71 PTGS1 (0.54) PTGS1KDM4EMEN1KMT2AL3MBTL1

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-3940403-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1976-02-24 — — US claimed
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