SCHEMBL7702259

SCHEMBL7702259

COC(=O)C1(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ CTSL P07711 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSB P07858 2/20 0.45
▸ CTSK P43235 1/20 0.45
▸ CTRB1 P17538 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CYP3A4 P08684 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TACR1 P25103 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA5A P35218 1/20 0.43

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
SCHEMBL10581294 0.90 CTRB1 (0.47) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL10934632 0.81 ALDH1A1 (0.57) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL5618974 0.80 TACR1 (0.57) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL6850692 0.79 CTRB1 (0.59) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL7701531 0.79 CTRB1 (0.59) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL1189554 0.79 CTSS (0.57) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL7757920 0.79 MME (0.59) CTSLCTSS
SCHEMBL10985113 0.78 CTSL (0.51) TRPM8CTSLCTSSCTSBCTSK
Hydrochloric Acid SCHEMBL29158039 0.78 CTSS (0.56) CTSLCTSSCTSBCTSKALDH1A1
SCHEMBL7759227 0.78 ECE1 (0.62) CTSLCTSSCTSBCTSKCTRB1

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-6342582-B1 PURIFICATION AND/OR BIOSYNTHESIS OF OLIGOPEPTIDES IN PRESENCE OF A PHENOL OR MIXTURE; DEBLOCKING, AMIDATION; VACCINES, DRUGS, FOOD, AGRICULTURE RHODIA CHIMIE (FR) 2002-01-29 — — US disclosed
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