SCHEMBL18459348

SCHEMBL18459348

CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ PRSS1 P07477 1/20 0.47
▸ ACR P10323 1/20 0.47
▸ MMP3 P08254 2/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL18507786 0.99 MAPT (0.58) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL7794502 0.90 L3MBTL1 (0.59) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL24581503 0.88 HTT (0.59) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL816232 0.87 POLB (0.64) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL11467054 0.86 LMNA (0.67) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL8023132 0.86 LMNA (0.67) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL11763538 0.86 LMNA (0.67) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL11769419 0.86 LMNA (0.62) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL10656997 0.86 LMNA (0.62) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL24511892 0.86 LMNA (0.53) MAPTALDH1A1NPC1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9897496-B2 Stress measuring method, stress measuring member, and stress measuring set FUJIFILM CORPORATION (JP) 2018-02-20 — — US disclosed
US-20170030785-A1 STRESS MEASURING METHOD, STRESS MEASURING MEMBER, AND STRESS MEASURING SET FUJIFILM CORPORATION (JP) 2017-02-02 — — US disclosed
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