SCHEMBL10830507

SCHEMBL10830507

CCOC(=O)c1cc(C(C)(C)[N+](=O)[O-])cc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 8/20 0.35
▸ MAPT P10636 4/20 0.35
▸ POLB P06746 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35

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
SCHEMBL11168353 0.89 TRPA1 (0.35) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL10806484 0.88 TSHR (0.38) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL10831575 0.85 SMN1; SMN2 (0.42) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL52173 0.81 ALDH1A1 (0.38) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL51134 0.81 TSHR (0.41) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL51941 0.81 ALDH1A1 (0.43) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL9455916 0.80 TSHR (0.40) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL51834 0.80 TSHR (0.40) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL9456118 0.79 TSHR (0.50) TSHRALDH1A1MAPTPOLBMEN1
SCHEMBL11169689 0.78 TSHR (0.39) TSHRALDH1A1MAPTPOLBMEN1

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-4564578-A PHOTOSENSITIVE EPOXY RESINS CIBA-GEIGY CORPORATION (US) 1986-01-14 — — US disclosed
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