SCHEMBL7850490

SCHEMBL7850490

O=C(c1ccccc1)C1CC1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
HBB P68871 1/20 0.48
CES1 P23141 3/20 0.48
CES2 O00748 2/20 0.48
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MCL1 Q07820 1/20 0.47
EPHX1 P07099 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 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
SCHEMBL7850492 1.00 KMO (0.48) KMOMAPTALOX15HTTHBB
SCHEMBL11374054 0.93 KMO (0.58) KMOMAPTALOX15HTTHBB
SCHEMBL16521477 0.93 KMO (0.58) KMOMAPTALOX15HTTHBB
SCHEMBL8775309 0.93 KMO (0.58) KMOMAPTALOX15HTTHBB
SCHEMBL22570568 0.90 MCL1 (0.52) MAPTALOX15HTTHBBCES1
SCHEMBL30719580 0.89 KMO (0.42) KMOMAPTALOX15HTTHBB
SCHEMBL22142445 0.89 KMO (0.42) KMOMAPTALOX15HTTHBB
SCHEMBL16521488 0.89 MAPT (0.46) KMOMAPTALOX15HTTHBB
SCHEMBL31579246 0.89 CES2 (0.43) KMOMAPTALOX15HTTHBB
SCHEMBL16521476 0.86 CYP1A2 (0.53) MAPTTSHRALDH1A1CYP3A4CYP2C19

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
US-6328793-B1 FOR USE IN INK JET PRINTING PROCESSES, INCLUDING PIEZOELECTRIC INK JET PRINTING, ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-12-11 US claimed
WO-2025104683-A1 SPIRO-PENICILLANATE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY INFECTIONS FACULDADE DE FARMÁCIA DA UNIVERSIDADE DE LISBOA (PT) 2025-05-22 WO disclosed
US-6328793-B1 FOR USE IN INK JET PRINTING PROCESSES, INCLUDING PIEZOELECTRIC INK JET PRINTING, ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-12-11 US disclosed