SCHEMBL18831935

SCHEMBL18831935

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.51
▸ RCOR1 Q9UKL0 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ CTRB1 P17538 1/20 0.50
▸ TSHR P16473 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PRCP P42785 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GFER P55789 1/20 0.44

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
SCHEMBL18831932 1.00 KDM1A (0.51) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL18873440 0.91 PREP (0.45) KDM1ARCOR1ITGB1ITGA4MMP1
Hydrochloric Acid SCHEMBL18831929 0.90 PREP (0.44) KDM1ARCOR1ITGB1ITGA4MMP1
Hydrochloric Acid SCHEMBL18831927 0.90 PREP (0.44) KDM1ARCOR1ITGB1ITGA4MMP1
SCHEMBL11063150 0.88 CTRB1 (0.57) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL11063141 0.88 CTRB1 (0.57) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL18831922 0.87 HSD17B10 (0.44) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL18873528 0.87 KDM1A (0.43) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL1087489 0.85 KDM1A (0.50) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL29544106 0.84 ALDH1A1 (0.45) KDM1ARCOR1KDM4ELMNAHSD17B10

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-9650414-B1 Dual-action EP4 agonist—bisphosphonate conjugates and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-05-16 — — US disclosed
Send feedback