SCHEMBL19847107

SCHEMBL19847107

CCC(C(=O)OC)c1c(C(=O)c2ccccc2)oc2ccc(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.60
▸ KDM4E B2RXH2 8/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ KMT2A Q03164 7/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ HPGD P15428 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL16540439 0.88 MAPT (0.45) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL16540787 0.87 MAPT (0.49) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL16541002 0.87 MAPT (0.59) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL16540970 0.87 ALDH1A1 (0.50) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL16540713 0.84 KDM4E (0.54) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL18012115 0.81 MAPT (0.43) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL18012109 0.80 MAPT (0.58) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL17997083 0.79 MAPT (0.54) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL18012131 0.79 MAPT (0.49) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL16540678 0.78 MAPK1 (0.54) MAPTKDM4ESMN1; SMN2RAB9ANPC1

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-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 — — US disclosed
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