SCHEMBL29550348

SCHEMBL29550348

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

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.64
CTSL P07711 4/20 0.62
CTSB P07858 3/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
CAPN1 P07384 2/20 0.61
CTRB1 P17538 2/20 0.59

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
SCHEMBL8696650 0.92 CTSL (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7492293 0.92 ALDH1A1 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7499936 0.92 ALDH1A1 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7492287 0.92 ALDH1A1 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8699187 0.90 TACR1 (0.65) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8701970 0.87 ALDH1A1 (0.67) TACR1CTSLCTSBCTSSCTSK
SCHEMBL20026387 0.87 CTSK (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL219151 0.86 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL479010 0.86 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL220648 0.86 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK

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
CN-108291146-B Liquid crystal medium and liquid crystal device 默克专利股份有限公司 2022-04-12 CN claimed
CN-108291146-B Liquid crystal medium and liquid crystal device 默克专利股份有限公司 2022-04-12 CN disclosed