SCHEMBL23628394

SCHEMBL23628394

C=C(C)C(=O)N[C@@H](COC(=O)OC[C@@H](Cc1ccccc1)NC(=O)C(=C)C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
PIN1 Q13526 1/20 0.45
CTRB1 P17538 7/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TACR1 P25103 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL28168065 0.81 CTSL (0.53) CTSLPIN1CTRB1LMNACYP3A4
SCHEMBL13192099 0.80 CTSL (0.55) CTSLPIN1CTRB1LMNACYP3A4
SCHEMBL13524950 0.77 ATM (0.62) LMNACYP3A4RAB9A
SCHEMBL6218963 0.77 ATM (0.62) LMNACYP3A4RAB9A
SCHEMBL8374049 0.75 FCER2 (0.50)
SCHEMBL22352567 0.75 TACR1 (0.54) TACR1RAB9A
SCHEMBL8980296 0.75 TACR1 (0.54) TACR1RAB9A
SCHEMBL12115589 0.75 ACACB (0.60) CTSLPIN1CTRB1LMNACYP3A4
SCHEMBL2258793 0.75 TGFBR1 (0.57)
SCHEMBL346221 0.75 TGFBR1 (0.57)

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
EP-3847220-A1 UV-CURABLE HOT MELT ADHESIVE COMPOSITIONS FOR FLOORING APPLICATIONS BASF SE (DE) 2021-07-14 EP claimed