SCHEMBL29565385

SCHEMBL29565385

CCCCc1cc(CCC(=O)OCC(CC)CCCC)cc(-c2cccc3[nH]nnc23)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 6/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.35
RECQL P46063 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HSD17B10 Q99714 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL4887850 0.90 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27316633 0.88 CYP3A4 (0.43) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29565164 0.87 ALDH1A1 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29565142 0.86 ALDH1A1 (0.38) TDP1ALDH1A1LMNAHSD17B10
SCHEMBL28973495 0.81 ELANE (0.34) ALDH1A1MAPK1HSD17B10
SCHEMBL27328187 0.79 CYP3A4 (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL28450073 0.79 LPL (0.36) CYP3A4
SCHEMBL7760490 0.77 ALDH1A1 (0.38) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL6278572 0.75 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10
SCHEMBL10385181 0.75 TLR8 (0.31) TSHRMAPK1

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
EP-4232276-A1 LASER ENGRAVABLE LABELS Röhm GmbH (DE) 2023-08-30 EP disclosed
WO-2022090048-A1 LASER ENGRAVABLE LABELS RÖHM GMBH (DE) 2022-05-05 WO disclosed