SCHEMBL9440733

SCHEMBL9440733

CC(C)OC(=O)CCc1nc(-c2ccc(Cl)cc2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 2/20 0.40
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.37
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9440912 0.84 TSHR (0.49) S1PR1S1PR3TSHRSMN1; SMN2KDM4E
SCHEMBL9441095 0.84 RXRA (0.41) S1PR1S1PR3TSHRLTA4HKDM4E
SCHEMBL9441026 0.80 TSHR (0.58) S1PR1S1PR3TSHRKDM4EFOLH1
SCHEMBL10435551 0.79 TSHR (0.44) S1PR1S1PR3TSHRLTA4HSMN1; SMN2
SCHEMBL3180487 0.79 NPC1 (0.45) S1PR1S1PR3TSHRSMN1; SMN2KDM4E
SCHEMBL9440823 0.78 MEN1 (0.59) S1PR1S1PR3SMN1; SMN2KDM4EALDH1A1
SCHEMBL9441029 0.78 S1PR1 (0.40) S1PR1S1PR3TSHRLTA4HKDM4E
SCHEMBL9459783 0.77 KDM4E (0.50) S1PR1S1PR3TSHRSMN1; SMN2KDM4E
SCHEMBL4333153 0.75 TSHR (0.46) S1PR1S1PR3TSHRSMN1; SMN2KDM4E
SCHEMBL9441057 0.74 ALDH1A1 (0.48) KDM4EALDH1A1KMT2APOLBMEN1

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
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5239080-A Oxazole compounds and their use as antidiabetic and bone-reduction inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP disclosed