SCHEMBL27384353

SCHEMBL27384353

Cc1ccc(-c2cccc(-c3sccc3C(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP2A6 P11509 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PTPN5 P54829 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9910780 0.76 PTGS2 (0.41) PTGS2CYP2A6NPC1CASP3ALDH1A1
SCHEMBL29892442 0.73 MEN1 (0.55) DHODHNPC1RAB9APTPN5ALDH1A1
SCHEMBL20829312 0.69 DHODH (0.53) DHODHNPC1CASP3RAB9ASENP8
SCHEMBL30278454 0.68 NPC1 (0.50) CYP2A6NPC1RAB9AALDH1A1MAPT
P-Xylene SCHEMBL1420077 0.67 ACHE (0.53) DHODHNPC1RAB9APTPN5ALDH1A1
SCHEMBL598796 0.66 ACHE (0.57) DHODHNPC1RAB9APTPN5ALDH1A1
SCHEMBL29629004 0.65 TDP1 (0.58) CYP2A6PTPN5ALDH1A1MAPT
SCHEMBL23003863 0.65 ACHE (0.55) DHODHNPC1RAB9APTPN5ALDH1A1
SCHEMBL5545442 0.65 ACHE (0.55) DHODHNPC1RAB9APTPN5ALDH1A1
SCHEMBL29929976 0.65 ACHE (0.55) DHODHNPC1RAB9APTPN5ALDH1A1

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
WO-2024097855-A2 IDENTIFICATION OF SMALL MOLECULES THAT RECRUIT AND ACTIVATE RNASE L UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-05-10 WO disclosed