SCHEMBL21753809

SCHEMBL21753809

Cc1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL21753827 0.97 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL21756473 0.90 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1GRM5GAA
SCHEMBL21752922 0.89 ATM (0.46) MEN1KMT2AGRM5GPR183GFER
SCHEMBL21753812 0.89 ALDH1A1 (0.46) SMN1; SMN2LMNAMEN1KMT2AKDM4E
SCHEMBL21753815 0.89 GRM5 (0.49) MEN1KMT2AGRM5POLB
SCHEMBL16099458 0.89 PANK3 (0.44) SMN1; SMN2ALDH1A1GRM5
SCHEMBL21753822 0.89 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL21753823 0.88 MAPT (0.46) SMN1; SMN2KDM4EALDH1A1GRM5
SCHEMBL21753808 0.86 GRM5 (0.47) GRM5RXRARXRBRXRGPOLB
SCHEMBL21753814 0.86 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO claimed
WO-2020040326-A1 PHENYLACETIC ACID DERIVATIVE, AND COMPOSITION FOR PREVENTING OR TREATING AUTOIMMUNE DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2020-02-27 — — WO disclosed
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