SCHEMBL109001

SCHEMBL109001

C=CC(=O)OCCCCCN(CC)CC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 2/20 0.59
CYP2D6 P10635 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.42
HCAR2 Q8TDS4 2/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
ATM Q13315 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 1/20 0.39

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
SCHEMBL11674288 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL500592 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL7921669 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL499597 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL499684 1.00 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL610555 0.98 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL20822 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDCYP2D6
Hydrochloric Acid SCHEMBL11044788 0.91 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDCYP2D6
Chloromethane SCHEMBL2876432 0.90 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDCYP2D6
SCHEMBL11279409 0.88 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDCYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943596-A Viscosity index improver and preparation method and application thereof 一汽解放汽车有限公司 2022-01-18 CN disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
US-6200831-B1 HEAT-CURING A COATING OF A POLYAMIC ACID BASED ON A TETRACARBOXYLIC ACID AND A DIAMINE CONTAINNG AN ACTIVE OXYGEN OR NITROGEN FUNCTIONAL GROUP; SEALING THE EXTERNAL TERMINALS WITH A RESIN, E.G. AN EPOXIDE HITACHI, LTD. (JP) 2001-03-13 US disclosed
US-6087006-A SEMICONDUCTOR DEVICE HAVING SURFACE-PROTECTING FILM COMPRISING POLYIMIDE OBTAINED BY HEAT-CURING PRECURSOR HAVING POLAR SUBSTITUENTS AS THE SIDE CHAINS HITACHI, LTD. (JP) 2000-07-11 US disclosed
US-5578678-A N-VINYLCARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed