SCHEMBL10962452

SCHEMBL10962452

N#C/C(=C/c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81
MCL1 Q07820 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
AKR1C1 Q04828 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 4/20 0.43
PLIN1 O60240 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10962462 1.00 GLA (0.81) GLANPSR1MCL1NPC1RAB9A
SCHEMBL10962466 1.00 GLA (0.81) GLANPSR1MCL1NPC1RAB9A
SCHEMBL7666651 0.85 GLA (0.60) GLANPSR1NPC1RAB9AAKR1C1
SCHEMBL5157487 0.81 LMNA (0.57) GLANPSR1MCL1NPC1RAB9A
SCHEMBL27782319 0.81 NPSR1 (0.56) GLANPSR1MCL1NPC1RAB9A
SCHEMBL10618678 0.77 AKR1C1 (0.52) GLANPSR1NPC1RAB9AAKR1C1
SCHEMBL22279105 0.76 GLA (0.50) GLANPSR1NPC1RAB9AAKR1C1
SCHEMBL8562016 0.75 KMT2A (0.51) GLANPSR1ALDH1A1KMT2ACYP1A2
SCHEMBL1942388 0.74 MAPT (0.57) NPC1RAB9AAKR1C1ALDH1A1KMT2A
SCHEMBL7112204 0.74 MAPT (0.57) NPC1RAB9AAKR1C1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4515731-A Asymmetric catalysis MONSANTO COMPANY (US) 1985-05-07 US claimed
US-4515731-A Asymmetric catalysis MONSANTO COMPANY (US) 1985-05-07 US disclosed