SCHEMBL14033735

SCHEMBL14033735

CCCCCCOC(=O)/C(=C\c1ccc(-c2ccc(/C=C(\C(=O)OCCCCCC)S(=O)(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RARB P10826 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PPARG P37231 3/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APP P05067 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL14509230 0.85 TSHR (0.49) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL4901429 0.81 KMT2A (0.58) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL4901427 0.81 KMT2A (0.58) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL13092658 0.81 TSHR (0.45) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL4909547 0.79 KMT2A (0.62) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL4909540 0.79 KMT2A (0.62) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL10678505 0.78 ALDH1A1 (0.42) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL13609922 0.78 ALDH1A1 (0.42) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL13609911 0.78 ALDH1A1 (0.42) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL10442259 0.76 ALDH1A1 (0.40) TSHRALDH1A1LMNATP53CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 — — US disclosed
US-7432400-B2 Biphenylene compounds CIBA SPECIALTY CHEMICALS CORP. (US) 2008-10-07 — — US disclosed
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