SCHEMBL9204879

SCHEMBL9204879

CCCCCCCCCCCCCC[N]CC(CC)CCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP3A4 P08684 4/20 0.50
BCL2L1 Q07817 3/20 0.50
BAK1 Q16611 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
BLM P54132 1/20 0.50
APAF1 O14727 1/20 0.50
PLA2G1B P04054 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
SCHEMBL9212061 0.92 USP2 (0.44) USP2MEN1KMT2ATP53TSHR
SCHEMBL9206323 0.91 LMNA (0.43) USP2MEN1KMT2ATP53TSHR
SCHEMBL2404144 0.91 ALDH1A1 (0.48) USP2MEN1KMT2ATP53TSHR
SCHEMBL9202552 0.88 USP2 (0.40) USP2MEN1KMT2ATP53TSHR
SCHEMBL1052649 0.84 ALDH1A1 (0.54) USP2MEN1KMT2ATP53TSHR
SCHEMBL3383370 0.80 ALDH1A1 (0.50) USP2MEN1KMT2ATP53TSHR
SCHEMBL9204137 0.80 USP2 (0.40) USP2MEN1KMT2ATP53TSHR
SCHEMBL9208292 0.77 DNM1 (0.41) USP2MEN1KMT2ATP53TSHR
SCHEMBL4270142 0.75 ALDH1A1 (0.54) TSHRLMNACYP3A4ALDH1A1TDP1
SCHEMBL758110 0.75 ALDH1A1 (0.54) TSHRLMNACYP3A4ALDH1A1TDP1

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-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed