SCHEMBL30987345

SCHEMBL30987345

CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.46
▸ ABCB1 P08183 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ STS P08842 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL23500668 1.00 IDO1 (0.46) IDO1ABCB1TSHRALOX15ATM
SCHEMBL29760886 1.00 IDO1 (0.46) IDO1ABCB1TSHRALOX15ATM
SCHEMBL23046236 1.00 IDO1 (0.46) IDO1ABCB1TSHRALOX15ATM
SCHEMBL23024477 0.88 IDO1 (0.33) IDO1ABCB1TSHRKDM4E
SCHEMBL23024475 0.88 IDO1 (0.33) IDO1ABCB1TSHRKDM4E
SCHEMBL29892167 0.87 HDAC2 (0.39) IDO1GPR119HDAC1
SCHEMBL24672643 0.87 HDAC2 (0.39) IDO1GPR119HDAC1
SCHEMBL23046238 0.87 HDAC2 (0.39) IDO1GPR119HDAC1
SCHEMBL23046308 0.87 HDAC2 (0.41) IDO1GPR119HDAC1
SCHEMBL29891302 0.87 HDAC2 (0.41) IDO1GPR119HDAC1

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-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 — — EP disclosed
WO-2024147703-A1 SHP2 INHIBITOR AND USES THEREOF 주식회사 카나프테라퓨틱스 2024-07-11 — — WO disclosed
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