SCHEMBL29129082

SCHEMBL29129082

CC(C)(C)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.63
▸ LMNA P02545 1/20 0.63
▸ NPC1 O15118 2/20 0.60
▸ PPARG P37231 5/20 0.59
▸ ESRRG P62508 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ NR1H4 Q96RI1 3/20 0.52
▸ EPHX2 P34913 4/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL22384052 0.81 PPARG (0.45) RAB9ALMNAPPARGNR1H4EPHX2
SCHEMBL7113776 0.78 RAB9A (1.00) RAB9ALMNANPC1ALDH1A1NR1H4
SCHEMBL8165003 0.78 PTPN1 (0.67) RAB9ALMNANPC1ALDH1A1MAPT
SCHEMBL8165005 0.78 PTPN1 (0.67) RAB9ALMNANPC1ALDH1A1MAPT
SCHEMBL8684240 0.76 CYP1A2 (0.50) PPARGCYP1A2
SCHEMBL11952643 0.76 RAB9A (1.00) RAB9ALMNANPC1ESRRGTMEM97
SCHEMBL22384241 0.75 NR1H4 (0.56) RAB9ANPC1PPARGNR1H4EPHX2
SCHEMBL29182088 0.75 ESRRG (0.56) RAB9ALMNANPC1ESRRGNR1H4
SCHEMBL825959 0.75 ATM (0.55) CYP1A2
SCHEMBL1186455 0.75 ATM (0.55) CYP1A2

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-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 — — CN disclosed
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