SCHEMBL23399760

SCHEMBL23399760

CCCc1c(CC(C)C)c(O)nn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
CACNA1H O95180 2/20 0.41
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GMNN O75496 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL23399238 0.92 CACNA1H (0.40) USP2CACNA1HALDH1A1LMNARAB9A
SCHEMBL23399748 0.89 USP2 (0.41) USP2CACNA1HALDH1A1LMNARAB9A
SCHEMBL23398715 0.89 NR4A3 (0.41) USP2CACNA1HALDH1A1LMNARAB9A
SCHEMBL23399025 0.88 CACNA1H (0.44) CACNA1HALDH1A1LMNARAB9ANPC1
SCHEMBL23402586 0.88 KMT2A (0.36) USP2CACNA1HALDH1A1LMNARAB9A
SCHEMBL23401740 0.87 USP2 (0.46) USP2ALDH1A1LMNARAB9ANPC1
SCHEMBL23398578 0.86 ALDH1A1 (0.38) USP2CACNA1HALDH1A1LMNAMAPT
SCHEMBL23399754 0.85 USP2 (0.45) USP2ALDH1A1LMNARAB9ANPC1
SCHEMBL23400284 0.84 ALDH1A1 (0.39) USP2ALDH1A1LMNARAB9ANPC1
SCHEMBL23400209 0.83 CACNA1H (0.43) USP2CACNA1HALDH1A1LMNARAB9A

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