SCHEMBL28433924

SCHEMBL28433924

CCCCCCCCOC(=O)c1ccnc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5C P41229 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ ESR1 P03372 3/20 0.44
▸ JMJD6 Q6NYC1 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ S1PR1 P21453 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
SCHEMBL28436634 1.00 KDM5C (0.48) KDM5CKDM4CLMNAESR1JMJD6
SCHEMBL28431879 0.96 KDM5C (0.47) KDM5CKDM4CLMNAESR1JMJD6
SCHEMBL28440089 0.81 NAAA (0.50) KDM5CKDM4CS1PR1
SCHEMBL22402312 0.81 ESR1 (0.44) LMNAESR1NPC1MAPTRAB9A
SCHEMBL22402325 0.81 ESR1 (0.44) LMNAESR1NPC1MAPTRAB9A
SCHEMBL28443185 0.81 NAAA (0.50) KDM5CKDM4CS1PR1
SCHEMBL28441622 0.81 KDM4C (0.71) KDM5CKDM4CJMJD6MAPTALDH1A1
SCHEMBL28444103 0.80 JMJD6 (0.53) KDM5CKDM4CLMNAJMJD6NPC1
SCHEMBL22390151 0.80 LMNA (0.42) LMNAESR1NPC1MAPTRAB9A
SCHEMBL22390148 0.80 LMNA (0.42) LMNAESR1NPC1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 — — CN claimed
CN-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 — — CN claimed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 — — CN disclosed
CN-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 — — CN disclosed
Send feedback