SCHEMBL28619917

SCHEMBL28619917

C=C1C(=O)OC2CC(C)C(C(CC(C)=O)OC(C)=O)CCC12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ XBP1 P17861 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.33

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
SCHEMBL29367155 0.72 KDR (0.52) MAPTRAB9APTGS2PKMRECQL
SCHEMBL29410309 0.66 MAPT (0.43) MAPTRAB9APTGS2PKMRECQL
SCHEMBL8629536 0.66 MAPT (0.43) MAPTRAB9APTGS2PKMRECQL
SCHEMBL9242953 0.66 MAPT (0.43) MAPTRAB9APTGS2PKMRECQL
SCHEMBL8631899 0.66 MAPT (0.43) MAPTRAB9APTGS2PKMRECQL
SCHEMBL9240777 0.66 MAPT (0.43) MAPTRAB9APTGS2PKMRECQL
SCHEMBL8629540 0.66 MAPT (0.43) MAPTRAB9APTGS2PKMRECQL
Hydrochloric Acid SCHEMBL28537740 0.62 KDR (0.34) PTGS2KDR
SCHEMBL21563387 0.61 MAPT (0.45) MAPTRAB9APTGS2PKMRECQL
SCHEMBL22198793 0.60 PTGS2 (0.47) MAPTRAB9APTGS2PKMRECQL

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-113194737-A Pongamia composition, preparation and analysis method thereof and application thereof 特尔维瓦生物能源股份有限公司 2021-07-30 — — CN claimed
Send feedback