SCHEMBL9562607

SCHEMBL9562607

Cc1ccc(CCCCCS)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TYR P14679 2/20 0.33
LMNA P02545 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
SCHEMBL10039342 0.92 PYCR1 (0.40) PYCR1TAAR1KDM4EALDH1A1TP53
SCHEMBL10110928 0.85 TAAR1 (0.55) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL27563801 0.82 TYR (0.50) PYCR1TP53TDP1HTTMEN1
SCHEMBL10412816 0.82 TYR (0.50) PYCR1TP53TDP1HTTMEN1
SCHEMBL28533171 0.82 TYR (0.50) PYCR1TP53TDP1HTTMEN1
SCHEMBL11329915 0.81 TAAR1 (0.50) PYCR1TAAR1
SCHEMBL11325501 0.81 TAAR1 (0.50) PYCR1TAAR1
SCHEMBL11329871 0.81 TAAR1 (0.50) PYCR1TAAR1
SCHEMBL11331960 0.81 TAAR1 (0.50) PYCR1TAAR1
SCHEMBL11337231 0.81 TAAR1 (0.50) PYCR1TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316942-B1 MANUFACTURE OF DISULFIDES PHILLIPS PETROLEUM COMPANY (US) 1993-04-14 EP disclosed
US-4868336-A CATALYTIC OXIDATION OF MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1989-09-19 US disclosed
EP-0316942-A2 Manufacture of disulfides PHILLIPS PETROLEUM COMPANY (US) 1989-05-24 EP disclosed