SCHEMBL29634828

SCHEMBL29634828

O=C(N[C@@H](Cc1cccc(C(=O)O)c1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.60
TYR P14679 2/20 0.56
ACE P12821 1/20 0.56
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.55
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CTRB1 P17538 2/20 0.50
FOLH1 Q04609 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL22636176 1.00 TACR1 (0.60) TACR1TYRACEALDH1A1ALOX15
SCHEMBL22636177 1.00 TACR1 (0.60) TACR1TYRACEALDH1A1ALOX15
SCHEMBL29221343 0.87 TACR1 (0.63) TACR1TYRACEALDH1A1ALOX15
SCHEMBL7310753 0.87 TACR1 (0.63) TACR1TYRACEALDH1A1ALOX15
SCHEMBL15080871 0.86 TACR1 (0.68) TACR1TYRACEALDH1A1ALOX15
SCHEMBL29017551 0.86 IDO1 (0.48) TACR1TYRACECTSLCTSS
SCHEMBL22636072 0.85 SLC7A5 (0.57) TACR1TYRACEALDH1A1ALOX15
SCHEMBL22636074 0.85 SLC7A5 (0.57) TACR1TYRACEALDH1A1ALOX15
SCHEMBL2985968 0.85 ALDH1A1 (0.52) TACR1ALDH1A1ALOX15CTSLCTSB
SCHEMBL22636060 0.85 TYR (0.56) TACR1TYRACEALDH1A1ALOX15

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-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 CN disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed