SCHEMBL13704359

SCHEMBL13704359

CCC(C)c1ccc(C(=O)OC(C)(C)c2ccc3cc4c(C)cccc4cc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FFAR1 O14842 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TRPV1 Q8NER1 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL13704341 0.90 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2MEN1
SCHEMBL13704393 0.90 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2MEN1
SCHEMBL13704373 0.90 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2MEN1
SCHEMBL13704328 0.86 ALDH1A1 (0.42) ALDH1A1TSHRTP53SMN1; SMN2MEN1
SCHEMBL13704350 0.85 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13704336 0.84 ALDH1A1 (0.36) ALDH1A1TSHRTP53SMN1; SMN2MEN1
SCHEMBL13704371 0.84 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13704335 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTP53SMN1; SMN2MEN1
SCHEMBL13704347 0.82 ALDH1A1 (0.39) ALDH1A1TSHRFFAR1CYP1A2CYP3A4
SCHEMBL13704343 0.82 TP53 (0.38) ALDH1A1TSHRTP53SMN1; SMN2MEN1

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-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 — — US disclosed
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