SCHEMBL25669481

SCHEMBL25669481

Cc1ccc(N2C(=O)CCCC2CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.40
CCR2 P41597 9/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25685281 0.85 CCR1 (0.43) CCR1CCR2RAB9AKMT2APTGER3
SCHEMBL17501946 0.84 GRIN2B (0.42) KMT2APTGER3PTGER2HDAC1HDAC8
SCHEMBL17501944 0.84 GRIN2B (0.42) KMT2APTGER3PTGER2HDAC1HDAC8
SCHEMBL25669144 0.84 PTGER2 (0.36) RAB9AFFAR1PTGER3PTGER2HDAC1
SCHEMBL21620061 0.78 PTGER2 (0.37) CCR1CCR2RAB9AGAAKMT2A
SCHEMBL16422721 0.75 HDAC1 (0.49) PTGER3PTGER2HDAC1HDAC8HDAC6
SCHEMBL16422722 0.75 HDAC1 (0.49) PTGER3PTGER2HDAC1HDAC8HDAC6
SCHEMBL18013330 0.75 HDAC1 (0.44) CCR1CCR2RAB9APTGER3PTGER2
SCHEMBL16423061 0.75 HDAC1 (0.49) PTGER3PTGER2HDAC1HDAC8HDAC6
SCHEMBL13109270 0.75 PTGER2 (0.64) KMT2APTGER3PTGER2HDAC1HDAC8

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
WO-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 WO disclosed