SCHEMBL31148233

SCHEMBL31148233

CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL31148231 1.00 RAB9A (0.54) RAB9ANPC1ALDH1A1GAASMN1; SMN2
SCHEMBL30129949 0.83 MEN1 (0.52) NPC1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31148125 0.83 MEN1 (0.52) NPC1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL30945061 0.83 HDAC8 (0.51) NPC1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31148039 0.81 NPC1 (0.51) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL31148023 0.81 NPC1 (0.51) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL31148213 0.80 NPC1 (0.48) NPC1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL31148130 0.78 NPC1 (0.45) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL13125283 0.78 HDAC8 (0.43) NPC1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13149992 0.78 HDAC8 (0.43) NPC1ALDH1A1MEN1KMT2ACYP1A2

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-4695236-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE Soley Therapeutics, Inc. (US) 2026-02-18 — — EP disclosed
WO-2024216094-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS, INC. (US) 2024-10-17 — — WO disclosed
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