SCHEMBL9703797

SCHEMBL9703797

COc1ccc2cc(COS(C)(=O)=O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.62
SLC2A1 P11166 1/20 0.55
PTGS1 P23219 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
RAB9A P51151 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APLNR P35414 1/20 0.47
CYP2A6 P11509 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL5937187 0.84 APLNR (0.59) PTGS2NPC1RAB9ASMN1; SMN2APLNR
SCHEMBL5636631 0.81 IDO1 (0.59)
SCHEMBL28272270 0.81 CYP1A2 (0.44) PTGS2CYP1A2CYP3A4SLC6A2RAB9A
SCHEMBL14436807 0.78 PTGS1 (0.58) PTGS2SLC2A1PTGS1AKR1C3AKR1C2
SCHEMBL21458247 0.77 MTNR1A (0.41) PTGS2SLC2A1LMNASMN1; SMN2PDE10A
SCHEMBL21843484 0.77 POLB (0.47) CYP1A2KDM4ENPC1TP53CYP3A4
SCHEMBL4529293 0.77 ALDH1A1 (0.44) PTGS2APLNRCYP19A1CA2KMT2A
SCHEMBL8685698 0.76 CA2 (0.55) CYP1A2KDM4ELMNACYP3A4MAPT
SCHEMBL4952656 0.75 CA2 (0.58) PTGS2CYP1A2KDM4ENPC1LMNA
SCHEMBL27763304 0.75 CYP1A2 (0.55) PTGS2SLC2A1PTGS1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed