SCHEMBL8612394

SCHEMBL8612394

CCCCCC(=O)Oc1ccc(OCCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ESR1 P03372 3/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 3/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PLA2G4B P0C869 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
DGKA P23743 1/20 0.50
NR5A1 Q13285 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
SCHEMBL8921620 0.93 TP53 (0.61) KMT2ASMN1; SMN2ESR1TP53TSHR
SCHEMBL27486854 0.93 TP53 (0.61) KMT2ASMN1; SMN2ESR1TP53TSHR
SCHEMBL10407329 0.89 KMT2A (0.65) KMT2ASMN1; SMN2ESR1LMNANPC1
SCHEMBL10540387 0.89 RARB (0.64) KMT2ASMN1; SMN2ESR1TP53TSHR
SCHEMBL7484158 0.88 BCL9 (0.58) L3MBTL1KMT2AESR1TP53TSHR
SCHEMBL27524018 0.88 BCL9 (0.58) L3MBTL1KMT2AESR1TSHRLMNA
SCHEMBL15549028 0.88 KMT2A (0.68) KMT2ASMN1; SMN2ESR1LMNANPC1
SCHEMBL5696854 0.88 KMT2A (0.68) KMT2ASMN1; SMN2ESR1LMNANPC1
SCHEMBL38661498 0.88 KMT2A (0.68) KMT2ASMN1; SMN2ESR1LMNANPC1
SCHEMBL5696715 0.88 KMT2A (0.68) KMT2ASMN1; SMN2ESR1LMNANPC1

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-5747537-A Method of inhibiting parasitic activity WASHINGTON UNIVERSITY (US) 1998-05-05 US disclosed