SCHEMBL9440912

SCHEMBL9440912

CCOC(=O)CCc1nc(-c2ccc(Cl)cc2)co1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 1/20 0.44
ALPL P05186 1/20 0.43
TARBP2 Q15633 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
ENPP2 Q13822 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4333153 0.91 TSHR (0.46) TSHRRAB9ALMNAPOLBNPC1
SCHEMBL9440975 0.87 PARP1 (0.48) LMNAPOLBALDH1A1MAPK1KDM4E
SCHEMBL9440733 0.84 S1PR1 (0.40) TSHRRAB9ALMNAPOLBNPC1
SCHEMBL9440823 0.83 MEN1 (0.59) POLBALDH1A1MAPK1KDM4ESMN1; SMN2
SCHEMBL9459783 0.82 KDM4E (0.50) TSHRLMNAALDH1A1MAPK1KDM4E
SCHEMBL9441026 0.81 TSHR (0.58) TSHRPOLBALDH1A1KDM4EHSD17B10
SCHEMBL10435551 0.80 TSHR (0.44) TSHRRAB9AKDM4ESMN1; SMN2KMT2A
SCHEMBL9441057 0.80 ALDH1A1 (0.48) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL3180487 0.80 NPC1 (0.45) TSHRRAB9ALMNAPOLBNPC1
SCHEMBL4343281 0.79 FAAH (0.53) RAB9ALMNAPOLBNPC1ALDH1A1

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