SCHEMBL27844239

SCHEMBL27844239

Cc1ccc(C(=O)O)c(N2CCCC2)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.41
IP6K1 Q92551 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HAAO P46952 1/20 0.39
PTGER4 P35408 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
TTR P02766 1/20 0.36
DHODH Q02127 2/20 0.36
FABP3 P05413 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL27844750 0.98 POLB (0.43) POLBPKMHPGDIP6K1ALDH1A1
SCHEMBL27862034 0.93 TTR (0.41) HPGDALDH1A1HAAOPTGER4KDM4E
SCHEMBL27261095 0.87 ADRB1 (0.42) ALDH1A1HAAOKDM4ETTRHSD17B10
SCHEMBL28542992 0.83 ALDH1A1 (0.43) POLBPKMHPGDIP6K1ALDH1A1
SCHEMBL27916872 0.83 PTGER4 (0.39) HAAOPTGER4KDM4EKMT2ATTR
SCHEMBL5532623 0.78 ALDH1A1 (0.55) POLBHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL30159879 0.77 ALDH1A1 (0.58) POLBHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL6105725 0.77 ALDH1A1 (0.58) POLBHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL27202087 0.75 ALDH1A1 (0.54) HPGDALDH1A1KDM4ETTRHSD17B10
SCHEMBL27862474 0.75 POLB (0.47) POLBHPGDALDH1A1HAAOSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-102382257-B Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO 2015-02-11 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed
CN-102432759-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2012-05-02 CN disclosed
CN-102382257-A Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO 2012-03-21 CN disclosed
CN-102382258-A Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO 2012-03-21 CN disclosed
CN-102286130-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer 2011-12-21 CN disclosed