SCHEMBL21730241

SCHEMBL21730241

Cc1cc(C)c2c(c1O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.39
MAOA P21397 1/20 0.38
ALDH1A1 P00352 3/20 0.36
UGT2B17 O75795 2/20 0.35
CYP2C9 P11712 2/20 0.35
UHRF1 Q96T88 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL24133246 0.79 RXRG (0.33) CA1CA2ACHEALDH1A1UGT2B17
SCHEMBL650592 0.79 ALDH1A1 (0.43) CA1CA2ACHEMAOAALDH1A1
SCHEMBL18358645 0.79 MAOA (0.42) CA1CA2ACHEMAOAALDH1A1
SCHEMBL14283979 0.78 KDM4E (0.40) CA1CA2ACHEMAOAALDH1A1
SCHEMBL850210 0.76 MAPT (0.37) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL27051156 0.75 ALDH1A1 (0.43) MAOAALDH1A1UGT2B17CYP2C9MEN1
SCHEMBL27051152 0.75 MEN1 (0.36) CA1CA2ACHEMAOAALDH1A1
SCHEMBL1181793 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL647462 0.74 ERN1 (0.50) ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL835332 0.74 ERN1 (0.45) CA1CA2ACHEALDH1A1CYP2C9

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
EP-3736299-A1 A POLYMERIZATION PROCESS FOR PRODUCING ETHYLENE BASED POLYMERS Dow Global Technologies Llc (US) 2020-11-11 EP disclosed
EP-3317312-B1 A POLYMERIZATION PROCESS FOR PRODUCING ETHYLENE BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-06-10 EP disclosed
EP-3317313-B1 A POLYMERIZATION PROCESS FOR PRODUCING ETHYLENE BASED POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-02-19 EP disclosed