SCHEMBL11448781

SCHEMBL11448781

O=C(N[C@@H](Cc1ccccc1)C(=O)On1nnc2ccccc21)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.51
▸ CTSL P07711 3/20 0.50
▸ CTSB P07858 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CTRB1 P17538 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TYR P14679 1/20 0.46

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
SCHEMBL14434898 0.87 ITGB3 (0.42) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10625625 0.86 NPC1 (0.47) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL14435181 0.83 CTSL (0.53) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL10625651 0.82 SYK (0.43) CTSLCTSBCTSSCTSKNPC1
SCHEMBL6538725 0.81 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7426455 0.80 CAPN1 (0.55) CTSLCTSBCTSSCTSK
SCHEMBL5000788 0.80 NPC1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10626852 0.79 SYK (0.44) CTSLCTSBCTSSCTSKNPC1
SCHEMBL15080871 0.78 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6538945 0.77 HTT (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2

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-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 — — US disclosed
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