Pyrrole

Pyrrole

SCHEMBL27588201

CCCCC(OC)(C(=O)c1ccccc1)C(=O)c1ccccc1.c1cc[nH]c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.43
SRC P12931 1/20 0.43
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 3/20 0.40
LMNA P02545 1/20 0.37
NAAA Q02083 1/20 0.37
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
TSHR P16473 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
SCHEMBL15651 0.93 CES1 (0.49) CES1SRCKMT2ATDP1L3MBTL1
Water SCHEMBL28127793 0.91 CES1 (0.47) CES1SRCKMT2ATDP1L3MBTL1
Methane SCHEMBL16506198 0.91 CES1 (0.47) CES1SRCKMT2ATDP1L3MBTL1
Benzophenone SCHEMBL2843986 0.88 CES1 (0.45) CES1SRCKMT2ATDP1L3MBTL1
SCHEMBL4591841 0.88 CES1 (0.47) CES1SRCCES2LMNANAAA
SCHEMBL8083975 0.87 CES1 (0.47) CES1SRCCES2NAAAKCNH2
Dibenzoylmethane SCHEMBL2905077 0.86 KMT2A (0.49) CES1SRCKMT2ATDP1L3MBTL1
SCHEMBL21239897 0.83 CES1 (0.41) CES1SRCKMT2ATDP1L3MBTL1
SCHEMBL19717693 0.82 CES1 (0.40) CES1SRCKMT2ATDP1L3MBTL1
SCHEMBL19031192 0.82 MAPT (0.54) CES1SRCLMNAGAATSHR

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
CN-1553796-A Compositions having enhanced deposition of topically active compounds on surfaces �йȲ��� 2004-12-08 CN disclosed