SCHEMBL9844022

SCHEMBL9844022

CCc1ccsc1C(C)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
LTB4R Q15722 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 2/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2083327 0.83 ALOX5 (0.32) ALOX5LTB4R
SCHEMBL10110370 0.83 ALOX5 (0.33) ALOX5GABRA1GABRB2
SCHEMBL28185456 0.79 AKR1C3 (0.39) ALOX5LTB4RALDH1A1HPGDTSHR
SCHEMBL9631536 0.77
SCHEMBL20692523 0.76 PDE7A (0.32) ALOX5
SCHEMBL11383379 0.74 FFAR2 (0.33) ALOX5ALDH1A1RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL10919944 0.74 LMNA (0.35) ALOX5LTB4RALDH1A1RAB9ANPC1
SCHEMBL5097717 0.71 ALOX5 (0.34) ALOX5
SCHEMBL18003233 0.70
SCHEMBL13723850 0.70

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-0459230-A1 Methanthiols, process for their preparation and their use HAARMANN & REIMER GMBH (DE) 1991-12-04 EP disclosed