SCHEMBL9308871

SCHEMBL9308871

CCCCNC(=O)OC(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.51
LMNA P02545 2/20 0.51
PAX8 Q06710 1/20 0.51
OPRM1 P35372 3/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CTSK P43235 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BCHE P06276 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11186607 0.91 OPRM1 (0.51) NAAAOPRM1HTTALDH1A1
SCHEMBL10639479 0.91 OPRM1 (0.51) NAAALMNAOPRM1CTSKNPC1
SCHEMBL9828137 0.88 HTT (0.56) LMNAOPRM1HTTKMT2AALDH1A1
SCHEMBL21798492 0.85 EPHX2 (0.60) KMT2AALDH1A1CNR1CNR2NPC1
SCHEMBL9828186 0.84 HTT (0.52) NAAALMNAOPRM1HTTKMT2A
SCHEMBL10638831 0.84 OPRM1 (0.53) NAAAOPRM1CTSKKMT2AMEN1
SCHEMBL9831112 0.83 OPRM1 (0.50) OPRM1TSHRHTT
SCHEMBL9293279 0.83 OPRM1 (0.50) NAAAOPRM1HTTALDH1A1SMN1; SMN2
SCHEMBL17550883 0.83 OPRM1 (0.50) NAAALMNAOPRM1
Hydrochloric Acid SCHEMBL28345934 0.82 OPRM1 (0.49) NAAAOPRM1

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
US-5284958-A Acylation, cyclization of a 5-hydrazine-1H-pyrazole FUJI PHOTO FILM CO., LTD. (JP) 1994-02-08 US disclosed
US-5214149-A Process for producing a 1H-pyrazolo[5,1-c]-1,2,4-triazole compound FUJI PHOTO FILM CO., LTD. (JP) 1993-05-25 US disclosed