SCHEMBL11855729

SCHEMBL11855729

CC(O)CSc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.45
BACE1 P56817 2/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 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
SCHEMBL20067971 0.86 P4HB (0.46) P4HBBACE1MAOAMAOBTSHR
SCHEMBL78524 0.81 TSHR (0.46) P4HBBACE1MAOAMAOBTSHR
SCHEMBL6068906 0.81 P4HB (0.43) P4HBBACE1MAOAMAOBTSHR
SCHEMBL6068909 0.81 P4HB (0.43) P4HBBACE1MAOAMAOBTSHR
SCHEMBL4720209 0.80 BACE1 (0.44) BACE1MAOAMAOBTSHRLMNA
SCHEMBL11097562 0.80 KMT2A (0.48) MAOAMAOBTSHRLMNAALOX15
SCHEMBL11853227 0.80 MAOA (0.42) BACE1MAOAMAOBTSHRCA2
SCHEMBL8817290 0.78 BACE1 (0.53) BACE1MAOAMAOBLMNAALOX15
SCHEMBL79094 0.78 TSHR (0.42) P4HBBACE1MAOAMAOBTSHR
SCHEMBL23409911 0.74 P4HB (0.38) P4HBBACE1MAOAMAOBALOX15

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-3952063-A Process for the preparation of an organomercaptophenol from sulfur, a phenol, and an activated olefin or an epoxy compound GENERAL ELECTRIC COMPANY (US) 1976-04-20 US disclosed