SCHEMBL23280404

SCHEMBL23280404

CCOC(=O)C1C=CC(C(=O)O)=CC1OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL23280468 0.75
SCHEMBL28402044 0.69 KMT2A (0.39) TSHRKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL28402043 0.69 KMT2A (0.39) TSHRKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL28923707 0.69 KMT2A (0.39) TSHRKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL20920554 0.67
SCHEMBL28404479 0.66 TSHR (0.42) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28923579 0.66 TSHR (0.42) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL28404480 0.66 TSHR (0.42) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL24450636 0.65 TDP1 (0.33) KMT2A
SCHEMBL6316661 0.64 ALDH1A1 (0.42) TSHRKDM4EALDH1A1MEN1KMT2A

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
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed