SCHEMBL23399239

SCHEMBL23399239

CCCc1c(C(C)C)nn(-c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
GCGR P47871 2/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
HMGCR P04035 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.39
GMNN O75496 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL23400321 0.92 GCGR (0.43) USP2GCGRP2RX7ALDH1A1GAA
SCHEMBL23399322 0.88 GCGR (0.42) USP2GCGRP2RX7ALDH1A1GAA
SCHEMBL23402471 0.87 TP53 (0.41) USP2GCGRP2RX7ALDH1A1KDM4E
SCHEMBL23403543 0.85 ALDH1A1 (0.40) USP2GCGRP2RX7ALDH1A1LMNA
SCHEMBL23403071 0.84 P2RX7 (0.40) P2RX7ALDH1A1GAAHMGCRCYP1A2
SCHEMBL23401311 0.82 DHODH (0.39) USP2GCGRALDH1A1MAPTMAPK1
SCHEMBL23401449 0.81 USP2 (0.47) USP2ALDH1A1GAAKDM4ELMNA
SCHEMBL23403011 0.81 USP2 (0.42) USP2ALDH1A1GAAKDM4ELMNA
SCHEMBL23399584 0.80 NPC1 (0.52) USP2P2RX7KDM4ELMNACYP1A2
SCHEMBL23403047 0.80 ALDH1A1 (0.49) USP2ALDH1A1GAAKDM4ELMNA

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