SCHEMBL28006640

SCHEMBL28006640

CCC(=O)CCc1ccccc1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RECQL P46063 2/20 0.43
▸ PARK7 Q99497 1/20 0.42
▸ IAPP P10997 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ SELL P14151 1/20 0.41
▸ SELP P16109 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ ESR2 Q92731 1/20 0.40

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
SCHEMBL28006639 0.91 L3MBTL1 (0.43) L3MBTL1TDP1RECQLIAPPGAA
SCHEMBL28007037 0.90 IAPP (0.47) L3MBTL1TDP1IAPPSELLSELP
Phenylethyl Alcohol SCHEMBL28016810 0.83 TDP1 (0.48) TDP1PARK7ALDH1A1KDM4ENPC1
SCHEMBL28006946 0.83 POLB (0.43) L3MBTL1RECQLPARK7GAAALDH1A1
SCHEMBL28006956 0.82 RARB (0.59) ALDH1A1RARB
Phenethylamine SCHEMBL27459899 0.82 HTR2A (0.47) L3MBTL1RECQLPARK7ALDH1A1KDM4E
Propionic Acid SCHEMBL27786631 0.79 TSHR (0.46) L3MBTL1TDP1RECQLGAAALDH1A1
SCHEMBL1874 0.79 ALDH1A1 (0.63) L3MBTL1TDP1IAPPALDH1A1ALOX5
Benzene SCHEMBL27546363 0.79 KDM4E (0.55) TDP1ALDH1A1KDM4EESR1SMN1; SMN2
SCHEMBL28826878 0.78 GPR52 (0.47) PARK7ALDH1A1KDM4EPOLBHDAC8

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
CN-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 — — CN disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
Send feedback