SCHEMBL9833244

SCHEMBL9833244

CC1(C)CCC(C)(C)c2cc3c(=O)cc(-c4ccc(OC(=O)O)cc4)oc3cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.49
▸ TP53 P04637 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ CYP3A4 P08684 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ SMN1; SMN2 Q16637 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
SCHEMBL8553327 0.87 TNKS (0.57) TNKSABCB1
SCHEMBL10550637 0.84 TNKS (0.62) MAOBTP53MAPTCYP3A4MEN1
SCHEMBL9836023 0.79 MAPT (0.52) TP53MAPTCYP3A4MEN1KMT2A
SCHEMBL9359800 0.76 RARB (0.52) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL25330135 0.75 MAPT (0.66) MAOBTP53MAPTCYP3A4MEN1
SCHEMBL10550483 0.74 TNKS (0.51) MAOBTP53MAPTCYP3A4KDM4E
Acetic Acid SCHEMBL311830 0.72 TNKS (0.67) MAOBTP53MAPTCYP3A4MEN1
SCHEMBL21417969 0.72 MAPT (0.78) MAOBTP53MAPTCYP3A4MEN1
SCHEMBL311927 0.71 TNKS (0.71) MAOBTP53MAPTCYP3A4MEN1
SCHEMBL4172232 0.71 MAPT (0.74) MAOBTP53MAPTCYP3A4MEN1

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
EP-0237986-B1 FLAVONE CARBOXYLIC ACID DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1991-10-02 — — EP claimed
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