SCHEMBL25913609

SCHEMBL25913609

Cc1ccc(C(=O)OC(C)OC(=O)OC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 2/20 0.48
▸ SCN2A Q99250 2/20 0.48
▸ SCN3A Q9NY46 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ STS P08842 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL24848168 0.88 MEN1 (0.46) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL5010378 0.88 PARP10 (0.44) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL25920617 0.88 LMNA (0.56) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL26804979 0.86 RAB9A (0.46) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL5010823 0.86 SMN1; SMN2 (0.49) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL24204876 0.85 SCN1A (0.46) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL6057098 0.81 SCN1A (0.69) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL12426775 0.79 SCN1A (0.71) SCN1ASCN2ASCN3ASMN1; SMN2LMNA
SCHEMBL13225900 0.79 TDP1 (0.59) SMN1; SMN2LMNANPC1RAB9AHTT
SCHEMBL6865989 0.78 ACHE (0.41) LMNACYP1A2NPC1RAB9ACYP2D6

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
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 — — EP disclosed
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