Orthocresol

Orthocresol

SCHEMBL9719795

Cc1ccccc1O.Cc1ccccc1O.Cc1ccccc1O.Cc1ccccc1O.S.S

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
ACHE P22303 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CA2 P00918 2/20 0.53
NPC1 O15118 1/20 0.53
CA12 O43570 1/20 0.53
GMNN O75496 1/20 0.53
EGFR P00533 1/20 0.53
FYN P06241 1/20 0.53
POLB P06746 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 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
Orthocresol SCHEMBL10455836 1.00 TRPA1 (0.57) TRPA1ATMALDH1A1TDP1LMNA
Orthocresol SCHEMBL6227970 1.00
Orthocresol SCHEMBL170162 0.97 TRPA1 (0.60) TRPA1ATMALDH1A1TDP1LMNA
Orthocresol SCHEMBL16002 0.97
Orthocresol SCHEMBL29395276 0.97
Orthocresol SCHEMBL10419161 0.97 TRPA1 (0.60) TRPA1ATMALDH1A1TDP1LMNA
Orthocresol SCHEMBL8710164 0.97 TRPA1 (0.60) TRPA1ATMALDH1A1TDP1LMNA
Orthocresol SCHEMBL2210412 0.94 ALDH1A1 (0.62) TRPA1ATMALDH1A1TDP1LMNA
Orthocresol SCHEMBL40946 0.94
Orthocresol SCHEMBL3407681 0.94

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-5085905-A Polysulfide adhesion promoter DAYCO PRODUCTS, INC. (US) 1992-02-04 US disclosed