SCHEMBL10780717

SCHEMBL10780717

CCCCCCCCCCCC(=O)Nc1cccc([C]=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 1/20 0.56
POLB P06746 1/20 0.56
SOAT2 O75908 1/20 0.56
SOAT1 P35610 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HDAC3 O15379 5/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC2 Q92769 5/20 0.53
HDAC10 Q969S8 5/20 0.53
HDAC11 Q96DB2 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
NCOR2 Q9Y618 1/20 0.53
HDAC4 P56524 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52

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
SCHEMBL7452128 1.00 LMNA (0.57) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8880595 0.94 KDM4E (0.60) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL4085439 0.88 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21715139 0.88 LMNA (0.56) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL15480392 0.88 LMNA (0.58) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL21715155 0.88 HDAC3 (0.67) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL11901010 0.85 LMNA (0.69) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL25727454 0.83 LMNA (0.51) LMNANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL9122642 0.82 ENPP2 (0.59) LMNANPC1RAB9ASMN1; SMN2POLB
SCHEMBL11313028 0.82 ENPP2 (0.59) LMNANPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095295-B1 CYCLIC PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-01-14 EP claimed
US-RE32311-E ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-12-16 US claimed
EP-0095295-A1 Cyclic peptide derivatives ELI LILLY AND COMPANY (US) 1983-11-30 EP claimed
US-4396543-A Derivatives of A-21978C cyclic peptides ELI LILLY AND COMPANY (US) 1983-08-02 US claimed
US-4293487-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4293485-A PEPTIDE FUNGICIDE ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4293488-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4293483-A PEPTIDE ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-10-06 US claimed
US-4293491-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 US claimed