SCHEMBL23399650

SCHEMBL23399650

Cc1ccc(-c2cc(O)n(C(C)(C)C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.42
NPC1 O15118 9/20 0.42
RAB9A P51151 9/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
TP53 P04637 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 8/20 0.41
LMNA P02545 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
STAT1 P42224 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.39
ESRRA P11474 1/20 0.39
HPGD P15428 5/20 0.38

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
SCHEMBL23400674 0.84 P2RY6 (0.43) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL23402126 0.82 RIPK2 (0.48) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL8471736 0.82 MEN1 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL4026598 0.82 KIF11 (0.42) NPC1RAB9AGAA
SCHEMBL4035565 0.81 RXRA (0.44) SMN1; SMN2NPC1RAB9AKDM4EHTT
SCHEMBL3661525 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL8892611 0.77 ESRRA (0.53) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL13020365 0.74 GAA (0.45) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL23401334 0.74 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL23399200 0.73 RAB9A (0.41) SMN1; SMN2NPC1RAB9AMAPTMEN1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed