SCHEMBL6990620

SCHEMBL6990620

OCC(Sc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
EPHX1 P07099 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
SCHEMBL29173883 0.74 NPC1 (0.33) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL11518067 0.72 RAB9A (0.45) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL11517362 0.70 KMT2A (0.43) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL966816 0.69 MEN1 (0.58) KMT2AIDO1MEN1PKMCTDSP1
SCHEMBL2951287 0.69 NPC1 (0.53) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL1848023 0.68 ALDH1A1 (0.42) HPGDTSHRPKMALDH1A1SMN1; SMN2
SCHEMBL28045359 0.68 CYP1A2 (0.42) HPGDTSHRIDO1PKMCTDSP1
SCHEMBL7428096 0.67 MEN1 (0.55) KMT2AIDO1MEN1PKMCTDSP1
SCHEMBL2944706 0.66 MAOA (0.50) RAB9ANPC1KMT2AHPGDTSHR
SCHEMBL11277736 0.65 IDO1 (0.57) KMT2AIDO1MEN1PKMCTDSP1

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-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed