SCHEMBL11533113

SCHEMBL11533113

CCC(C)(CC)CCC(=O)CCC(C)(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL20489968 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL10287160 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MEN1CYP1A2
SCHEMBL13740623 0.79 LMNA (0.39) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL11564017 0.78 TDP1 (0.33) ALDH1A1KMT2ATDP1MEN1CYP1A2
SCHEMBL16725017 0.78 TDP1 (0.47) ALDH1A1TDP1LMNAHSD17B10CES2
SCHEMBL5705354 0.76 ALDH1A1 (0.32) ALDH1A1KMT2ATDP1MEN1CYP1A2
SCHEMBL28486250 0.76 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1MEN1CYP1A2
SCHEMBL14986185 0.75 LMNA (0.32) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL23494152 0.74 TET2 (0.42) ALDH1A1KMT2AMEN1CYP1A2THRB
SCHEMBL8898363 0.73 ALDH1A1 (0.32) ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1096492-C Heat and mass transfer additives for improved aqueous absorption fluids ROCKY RES CO (US) 2002-12-18 CN claimed
CN-1195365-A Heat and mass transfer additives for improved aqueous absorption fluids ROCKY RESEARCH CO (US) 1998-10-07 CN claimed
CN-103298338-B Comprise the agrochemical formulation of encapsulating agricultural chemicals BASF SE (DE) 2016-02-10 CN disclosed
CN-103347384-B Agrochemical formulations comprising encapsulated pesticides BASF SE (DE) 2015-09-30 CN disclosed
CN-103347384-A Agrochemical formulations comprising encapsulated pesticides BASF SE 2013-10-09 CN disclosed
CN-103298338-A Agrochemical formulation comprising encapsulated pesticide BASF SE 2013-09-11 CN disclosed
CN-101124185-A Process for the selective hydrogenation of alkynes CATALYTIC DISTILLATION TECH (US) 2008-02-13 CN disclosed
CN-1096492-C Heat and mass transfer additives for improved aqueous absorption fluids ROCKY RES CO (US) 2002-12-18 CN disclosed
CN-1026218-C Process for reduction of refined catalytic before use EURPOEENNE DE RETRAITEMENT DE (FR) 1994-10-19 CN disclosed
CN-1031247-A A kind of catalyst for refining method of reducing before use EURECAT EUROP RETRAIT CATALYS (FR) 1989-02-22 CN disclosed
US-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed
US-4134889-A Manufacture of glycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4097521-A Manufacture of amidosulfonic acids BASF AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4042587-A PESTICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed