SCHEMBL28245902

SCHEMBL28245902

O=C(O)CCc1cccc2c1CCN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 5/20 0.51
▸ TBXA2R P21731 1/20 0.42
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ABHD6 Q9BV23 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38

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
SCHEMBL22366387 0.86 S1PR5 (0.42) S1PR5HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL22319819 0.85 S1PR5 (0.47) S1PR5HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL18584701 0.84 ABHD6 (0.43) S1PR5HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL16269608 0.83 UCHL1 (0.49) S1PR5ABHD6
SCHEMBL28901639 0.83 ABHD6 (0.41) S1PR5HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL16268894 0.83 S1PR5 (0.40) S1PR5HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL22319890 0.83 S1PR5 (0.41) S1PR5HPGDTSHRSMN1; SMN2HSD17B10
SCHEMBL16269635 0.78 S1PR5 (0.47) S1PR5TBXA2RHPGDHSD17B10HDAC8
SCHEMBL5777006 0.77 SMN1; SMN2 (0.44) SMN1; SMN2ABHD6NOTUMTAAR1HDAC8
SCHEMBL6279147 0.76 ALDH1A1 (0.44) S1PR5SMN1; SMN2ABHD6TAAR1HDAC8

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
CN-105263924-B Cxcr7 receptor modulators 爱杜西亚制药有限公司 2018-10-19 — — CN disclosed
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