SCHEMBL13704347

SCHEMBL13704347

CCC(C)c1ccc(C(=O)OC(C)(C)c2ccc3cc4ccc(-c5ccccc5)cc4cc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ UTS2R Q9UKP6 4/20 0.37
▸ CASR P41180 2/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ GCGR P47871 2/20 0.36
▸ ADCY6 O43306 1/20 0.36
▸ ADCY3 O60266 1/20 0.36
▸ ADCY9 O60503 1/20 0.36
▸ ADCY5 O95622 1/20 0.36
▸ ADCY8 P40145 1/20 0.36
▸ ADCY7 P51828 1/20 0.36
▸ ADCY2 Q08462 1/20 0.36
▸ ADCY1 Q08828 1/20 0.36
▸ ADCY4 Q8NFM4 1/20 0.36

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
SCHEMBL13704349 0.93 CYP1A2 (0.39) ALDH1A1TSHRPDCD1CD274CYP1A2
SCHEMBL13704393 0.92 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP3A4UTS2R
SCHEMBL13704373 0.92 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP3A4UTS2R
SCHEMBL13704341 0.92 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2CYP3A4UTS2R
SCHEMBL13704328 0.88 ALDH1A1 (0.42) ALDH1A1TSHRCYP1A2CYP3A4UTS2R
SCHEMBL13704335 0.83 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4
SCHEMBL13704350 0.82 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2
SCHEMBL13704359 0.82 ALDH1A1 (0.36) ALDH1A1TSHRCYP1A2CYP3A4FFAR1
SCHEMBL13704371 0.81 ALDH1A1 (0.40) ALDH1A1TSHRCYP1A2
SCHEMBL13704323 0.81 ALDH1A1 (0.48) ALDH1A1TSHRPDCD1CD274CYP1A2

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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