SCHEMBL31274678

SCHEMBL31274678

CC1CC(C(=O)O)(c2cc(Cl)nc(C3CC3)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ CBLB Q13191 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30

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
SCHEMBL25411583 0.87 CCR2 (0.36) RAB9ACCR2KDM4EOPRM1OPRL1
SCHEMBL31275019 0.86 LMNA (0.34) POLBRAB9ACBLBKDM4E
SCHEMBL31275328 0.84 — —
SCHEMBL30872144 0.82 ALDH1A1 (0.38) POLBRAB9ACBLBCCR2KMT2A
SCHEMBL30903073 0.81 POLB (0.33) POLBCYP17A1
SCHEMBL31459001 0.75 MAPT (0.32) POLBCCR2KDM4E
SCHEMBL31275111 0.75 S1PR2 (0.39) KMT2A
SCHEMBL31459244 0.73 S1PR2 (0.34) RAB9ACCR2
SCHEMBL30872137 0.73 TAS1R3 (0.39) CCR2OPRM1OPRL1
SCHEMBL30903067 0.72 LMNA (0.33) POLBKDM4EKMT2A

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
WO-2024255762-A1 CBL-B INHIBITOR 上海齐鲁制药研究中心有限公司 2024-12-19 — — WO disclosed
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