SCHEMBL29244778

SCHEMBL29244778

CC(C)(C)OC(=O)N[C@H](COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ TACR1 P25103 2/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL30278063 1.00 SSTR3 (0.42) SSTR3CTSLCTSSCTSKACHE
SCHEMBL30698012 0.91 SSTR3 (0.44) SSTR3CTSLCTSSCTSKACHE
SCHEMBL29244465 0.88 HDAC3 (0.46) SSTR3CTSLCTSSCTSKACHE
SCHEMBL29244547 0.88 HDAC3 (0.46) SSTR3CTSLCTSSCTSKACHE
SCHEMBL30278175 0.88 HDAC3 (0.46) SSTR3CTSLCTSSCTSKACHE
SCHEMBL31535585 0.88 HDAC3 (0.46) SSTR3CTSLCTSSCTSKACHE
SCHEMBL29244466 0.88 HDAC3 (0.46) SSTR3CTSLCTSSCTSKACHE
SCHEMBL31535601 0.84 FAAH (0.44) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL31535595 0.83 NPC1 (0.42) SSTR3CTSLCTSSCTSKACHE
SCHEMBL31535662 0.81 KMT2A (0.45) MAPTPOLBUSP2ALDH1A1SMN1; SMN2

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
CN-118076613-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2024-05-24 — — CN disclosed
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