SCHEMBL5705240

SCHEMBL5705240

Cc1cc(C)cc(C(=O)N(NC(C)(C)C)C(=O)c2ccc3c(c2C)OCCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9905363 0.86 PLK1 (0.40) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL18091876 0.84 CTNNB1 (0.46) NPC1RAB9AMAPTHTTLMNA
SCHEMBL7130710 0.84 NPC1 (0.38) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL14937148 0.83 NPC1 (0.32) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL16036692 0.83 ABCB1 (0.32) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL9903289 0.83 NPC1 (0.35) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL16239577 0.83 ABCB1 (0.33) RAB9AHTTCYP3A4CYP2C9CYP2C19
SCHEMBL14764988 0.83 ABCB1 (0.34) NPC1RAB9AMAPTALDH1A1HTT
SCHEMBL6123388 0.82 NPC1 (0.35) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19946456 0.81 HSD17B10 (0.36) NPC1RAB9AMAPTALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076569-A1 FORMULATIONS USEFUL FOR MODULATING EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS, AND PRODUCTS RELATED THERETO THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2001-02-21 EP claimed
WO-1999058155-A1 FORMULATIONS USEFUL FOR MODULATING EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS, AND PRODUCTS RELATED THERETO THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1999-11-18 WO claimed
EP-1266015-B1 ECDYSONE RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM RHEOGENE HOLDINGS INC (US) 2006-08-30 EP disclosed