SCHEMBL2087637

SCHEMBL2087637

CCCOc1c(C(=O)O)cc(C)c(C)c1N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.35
DHODH Q02127 2/20 0.35
PLAU P00749 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC16A3 O15427 1/20 0.34

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
SCHEMBL2090404 0.85 TP53 (0.42) MRGPRX4TP53HPGDSMN1; SMN2HRH3
SCHEMBL2087120 0.83 TP53 (0.40) MRGPRX4TP53HPGDSMN1; SMN2HRH3
SCHEMBL2088703 0.74 NPC1 (0.38) TP53HPGDSMN1; SMN2HRH3LMNA
SCHEMBL12379039 0.72 KMT2A (0.41) TP53HPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL25435826 0.72 KMT2A (0.38) TP53HPGDSMN1; SMN2DHODHALDH1A1
SCHEMBL2938443 0.70 HPGD (0.41) TP53HPGDSMN1; SMN2HRH3ALDH1A1
SCHEMBL27747426 0.70 KMT2A (0.44) TP53HPGDSMN1; SMN2DHODHALDH1A1
SCHEMBL28542992 0.69 ALDH1A1 (0.43) TP53HPGDSMN1; SMN2LMNADHODH
SCHEMBL11168021 0.69 ALDH1A1 (0.50) HPGDSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL29912337 0.69 PLA2G2A (0.49) TP53THRBTSHR

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-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed