SCHEMBL25910600

SCHEMBL25910600

CC1(C)OCC2C(CC2C(=O)OCc2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
CPB1 P15086 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ELANE P08246 2/20 0.38

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
SCHEMBL32677624 0.82 FABP7 (0.49) ALDH1A1TMEM97SIGMAR1GAAPKM
SCHEMBL11617650 0.80 ALDH1A1 (0.49) ALDH1A1TMEM97SIGMAR1GAAPKM
SCHEMBL31047712 0.80 ALDH1A1 (0.49) ALDH1A1TMEM97SIGMAR1GAAPKM
SCHEMBL9236592 0.77 ALDH1A1 (0.51) ALDH1A1GAAPKMTSHRFABP7
SCHEMBL29034926 0.73 ALDH1A1 (0.58) F2ALDH1A1TSHRCPB1CA1
SCHEMBL22869327 0.73 ALDH1A1 (0.58) F2ALDH1A1TSHRCPB1CA1
SCHEMBL5839017 0.73 HTR2C (0.45) F2ALDH1A1TMEM97SIGMAR1ELANE
SCHEMBL21416562 0.73 ALDH1A1 (0.46) ALDH1A1TMEM97SIGMAR1GAAPKM
SCHEMBL1838935 0.72 ALDH1A1 (0.55) F2ALDH1A1GAATSHRCPB1
SCHEMBL1838938 0.72 ALDH1A1 (0.55) F2ALDH1A1GAATSHRCPB1

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-4219517-A1 NOVEL ARTIFICIAL NUCLEIC ACID, METHOD FOR PRODUCING SAME, AND USE THEREOF Riken Genesis Co., Ltd. (JP) 2023-08-02 EP disclosed