Pyrrole

Pyrrole

SCHEMBL9108828

CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C.c1cc[nH]c1

nearest known ligand 0.81

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.81
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 3/20 0.67
MAPK1 P28482 1/20 0.67
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
XBP1 P17861 1/20 0.62
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL69310 0.90 HPGD (1.00) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL7252897 0.82 HPGD (0.83) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL7258078 0.82 HPGD (0.83) HPGDNPC1RAB9AALDH1A1MAPK1
SCHEMBL2472447 0.80 HPGD (0.80) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL11829885 0.80 ALDH1A1 (1.00) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL1450411 0.80 HPGD (0.80) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL5203823 0.80 ALDH1A1 (1.00) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL27786055 0.80 NPC1 (0.81) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL257220 0.79 RAB9A (0.79) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL5820716 0.79 HPGD (0.77) HPGDNPC1RAB9AKMT2AALDH1A1

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-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP disclosed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP disclosed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO disclosed