SCHEMBL30988811

SCHEMBL30988811

OCC(O)c1cccc(C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 5/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ GRIN2B Q13224 2/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ HTR2C P28335 1/20 0.35

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
SCHEMBL29256485 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1GRIN2BHDAC4HDAC2
SCHEMBL29256486 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1GRIN2BHDAC4HDAC2
SCHEMBL30988828 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1GRIN2BHDAC4HDAC2
SCHEMBL16959998 0.82 HDAC4 (0.38) SLC18A3SIGMAR1HDAC4HDAC2HDAC8
SCHEMBL13958750 0.81 SLC18A3 (0.41) SLC18A3SIGMAR1GRIN2B
SCHEMBL18793787 0.81 KMO (0.39) SLC18A3HDAC4HDAC2HDAC8KMO
SCHEMBL29337379 0.81 BCDIN3D (0.39) SLC18A3SIGMAR1HDAC4HDAC2HDAC8
SCHEMBL14038059 0.78 TSHR (0.47) CYP3A4TSHR
SCHEMBL31085235 0.78 LMNA (0.44) SLC18A3SIGMAR1HDAC4HDAC2HDAC8
SCHEMBL16953424 0.76 HDAC4 (0.42) SIGMAR1HDAC4HDAC2HDAC8CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340754-B Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2025-03-11 — — CN disclosed
CN-119490387-A Compounds for the treatment of pain-related diseases 源道医药(苏州)有限公司 2025-02-21 — — CN disclosed
CN-118340754-A Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2024-07-16 — — CN disclosed
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