SCHEMBL30200875

SCHEMBL30200875

OCC1(CCCOCc2ccccc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRL1 P41146 1/20 0.42
GBA1 P04062 2/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
LTA4H P09960 1/20 0.41
CHRM3 P20309 5/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TEAD3 Q99594 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL26649093 0.89 CHRM3 (0.44) OPRM1OPRL1LTA4HCHRM3CHRM2
SCHEMBL4900900 0.86 CHRM3 (0.44) OPRM1OPRL1LTA4HCHRM3CHRM2
SCHEMBL22437368 0.83 TSHR (0.47) OPRM1OPRL1CHRM3CHRM2CHRM1
SCHEMBL4690044 0.81 CHRM3 (0.42) OPRM1LTA4HCHRM3CHRM2CHRM1
SCHEMBL3490325 0.76 TSHR (0.47) OPRM1CHRM3CHRM2CHRM1SLC6A2
SCHEMBL13545892 0.76 ALDH1A1 (0.55) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL4690683 0.75 CHRM3 (0.38) OPRM1GBA1UGCGGBA2LTA4H
SCHEMBL4687898 0.75 TSHR (0.41) OPRM1LTA4HCHRM3CHRM2CHRM1
SCHEMBL4909810 0.74 OPRM1 (0.58) OPRM1OPRL1MEN1KMT2AKDM4E
SCHEMBL4905758 0.74 OPRM1 (0.58) OPRM1OPRL1MEN1KMT2AKDM4E

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-4401729-A1 BCL-XL DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-24 EP disclosed
WO-2023044046-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-23 WO disclosed