SCHEMBL9644574

SCHEMBL9644574

CCCCCc1ccc(O)c(S)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.57
IGF1R P08069 2/20 0.53
ALOX15 P16050 2/20 0.53
PTGS2 P35354 3/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL10945340 0.98 KAT8 (0.59) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL9845813 0.98 KAT8 (0.59) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL10411345 0.94 NPC1 (0.55) KAT8IGF1RALOX15PTGS2ESR1
Methoxymethane SCHEMBL6847722 0.93 KAT8 (0.55) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL69580 0.82 IGF1R (0.79) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL11616856 0.81 IGF1R (0.76) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL11721061 0.81 IGF1R (0.76) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL9447274 0.81 IGF1R (0.76) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL68207 0.81 IGF1R (0.76) KAT8IGF1RALOX15PTGS2ESR1
SCHEMBL70343 0.81 IGF1R (0.76) KAT8IGF1RALOX15PTGS2ESR1

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
US-5113019-A PROCESS FOR PHENOL ALKYLTHIOLATION AND ITS APPLICATION TO THE SYNTHESIS OF 4-ACYL-2-ALKYLTHIOPHENOLS SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) 1992-05-12 US disclosed