SCHEMBL9296193

SCHEMBL9296193

O=C(O)C1CCCC2CSc3ccccc3C21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
GRM1 Q13255 1/20 0.34
DGAT1 O75907 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
MITF O75030 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL11844301 0.75 MEN1 (0.41) GAALMNARAB9AMAPTKMT2A
SCHEMBL12749333 0.74 EDNRA (0.41) GAAALDH1A1GRM1KMT2ANPC1
SCHEMBL6287846 0.74 EDNRA (0.41) GAAALDH1A1GRM1KMT2ANPC1
SCHEMBL7423767 0.65 HCRTR1 (0.44) GAAALDH1A1KMT2ANPC1TDP1
SCHEMBL1844609 0.64 NPC1 (0.48) KMT2ANPC1TDP1MEN1
SCHEMBL22830919 0.64 AKR1C3 (0.43) TAAR1GAALMNARAB9AMAPT
SCHEMBL22830852 0.64 AKR1C3 (0.43) TAAR1GAALMNARAB9AMAPT
SCHEMBL22492144 0.64 AKR1C3 (0.43) TAAR1GAALMNARAB9AMAPT
SCHEMBL29599708 0.64 AKR1C3 (0.43) TAAR1GAALMNARAB9AMAPT
SCHEMBL21400400 0.64 ALDH1A1 (0.33) ALDH1A1MAPTTDP1

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
US-5276053-A Dibenzothiopyranylamines WARNER-LAMBERT COMPANY (US) 1994-01-04 US disclosed