SCHEMBL20162476

SCHEMBL20162476

O=C(O)c1ccccc1CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.61
BID P55957 1/20 0.54
BCL2L1 Q07817 1/20 0.54
MCL1 Q07820 1/20 0.54
BAK1 Q16611 1/20 0.54
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL11710027 0.96 FOLH1 (0.61) FOLH1BIDBCL2L1MCL1BAK1
SCHEMBL8698803 0.93 FOLH1 (0.58) FOLH1BIDBCL2L1MCL1BAK1
SCHEMBL31474045 0.92 FOLH1 (0.70) FOLH1SMN1; SMN2ALDH1A1TSHRSLC16A3
SCHEMBL166927 0.88 FOLH1 (0.66) FOLH1SMN1; SMN2ALDH1A1TSHRADRB2
SCHEMBL29975597 0.88 FOLH1 (0.66) FOLH1SMN1; SMN2ALDH1A1TSHRADRB2
SCHEMBL370919 0.88 SLC16A3 (0.58) FOLH1BIDBCL2L1MCL1BAK1
SCHEMBL9644336 0.88 SLC16A3 (0.62) FOLH1BIDBCL2L1MCL1BAK1
SCHEMBL729909 0.88 FOLH1 (0.70) FOLH1BIDBCL2L1MCL1BAK1
SCHEMBL8698905 0.87 FOLH1 (0.61) FOLH1ALDH1A1TSHRADRB2SLC16A3
SCHEMBL8702953 0.86 FOLH1 (0.63) FOLH1SMN1; SMN2ALDH1A1TSHRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197948-B1 MONOBENZOATE ANALOGS USEFUL AS PLASTICIZERS IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL LLC (US) 2020-04-01 EP claimed
EP-2814878-B1 MONOBENZOATE USEFUL AS A PLASTICIZER IN PLASTISOL COMPOSITIONS EMERALD KALAMA CHEMICAL LLC (US) 2018-05-23 EP claimed
CN-107526259-B Toner compositions comprising crystalline polyesters and waxes 施乐公司 2023-01-10 CN disclosed
CN-105102510-A Novel plasticizer blends and plastisol compositions comprising the same EMERALD KALAMA CHEMICAL LLC 2015-11-25 CN disclosed