SCHEMBL8464872

SCHEMBL8464872

COCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HDAC3 O15379 4/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
HCAR2 Q8TDS4 3/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.55
PLK1 P53350 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL20840643 0.88 KMT2A (0.60) KDM4ENPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL1042215 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL2183707 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL4139016 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL7634493 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL5840193 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL7636178 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL7629650 0.84 SOAT1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL9532980 0.81 CYP2C9 (0.69) KDM4ENPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL16404495 0.80 KMT2A (0.69) KDM4ENPC1RAB9ASMN1; SMN2HCAR2

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
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed