SCHEMBL28553486

SCHEMBL28553486

CCCC(=Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GUSB P08236 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MTNR1A P48039 5/20 0.35
▸ MTNR1B P49286 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL21176416 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTGUSB
SCHEMBL28989705 0.75 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTGUSB
SCHEMBL9065783 0.73 LMNA (0.43) ALDH1A1HPGDMAPT
SCHEMBL28553489 0.72 KMT2A (0.43) ALDH1A1HPGDKDM4EMAPTKMT2A
Pyrene SCHEMBL28283171 0.72 CYP1A2 (0.50) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL11818255 0.71 RECQL (0.51) MAPTKMT2AMEN1CYP3A4TDP1
SCHEMBL11818250 0.71 RECQL (0.51) MAPTKMT2AMEN1CYP3A4TDP1
SCHEMBL5593851 0.71 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTGUSB
SCHEMBL18832054 0.70 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTGUSB
SCHEMBL28550927 0.69 GUSB (0.46) ALDH1A1HPGDKDM4EMAPTGUSB

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-108899547-B Binder and preparation method thereof, silicon negative electrode material and secondary battery 桑顿新能源科技有限公司 2020-12-04 — — CN claimed
CN-108899547-B Binder and preparation method thereof, silicon negative electrode material and secondary battery 桑顿新能源科技有限公司 2020-12-04 — — CN disclosed
Send feedback