SCHEMBL9766529

SCHEMBL9766529

O=C(O)CCCCCCNC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.66
EPHX2 P34913 2/20 0.56
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CXCR4 P61073 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
PRMT1 Q99873 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL6260014 1.00 EPHX1 (0.66) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6664493 1.00 EPHX1 (0.66) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5510947 0.98 EPHX1 (0.63) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2677321 0.92 EPHX2 (0.64) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16439999 0.91 EPHX2 (0.62) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16439978 0.91 EPHX2 (0.62) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16440007 0.91 EPHX2 (0.62) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24642929 0.90 EPHX1 (0.53) EPHX1EPHX2ALDH1A1KMT2APRMT1
SCHEMBL1288428 0.90 EPHX2 (0.61) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16440004 0.89 EPHX2 (0.59) EPHX1EPHX2ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003082-A Reacting a lactam with hydrogen sulfide in the presence of an inorganic catalyst PHILLIPS PETROLEUM COMPANY (US) 1991-03-26 US disclosed
US-4990628-A Reacting lactam with hydrogen sulfide in presence of group 8 metals or compounds on alumina; support; sulfiding PHILLIPS PETROLEUM COMPANY (US) 1991-02-05 US disclosed
US-4956476-A Catalytic reaction of a lactam with hydrogen sulfide to produce a thiolactam, alumina is the catalyst PHILLIPS PETROLEUM COMPANY (US) 1990-09-11 US disclosed
US-4145352-A SULFACTIVE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1979-03-20 US disclosed