SCHEMBL28085500

SCHEMBL28085500

CCC(=O)OCCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
PPM1B O75688 2/20 0.36
PTPN1 P18031 2/20 0.36
PPP1CC P36873 2/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DGKA P23743 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL27803286 0.92 NAAA (0.41) NAAASMN1; SMN2GAAPPM1BPTPN1
SCHEMBL27803284 0.92 NAAA (0.41) NAAASMN1; SMN2GAAPPM1BPTPN1
SCHEMBL25022401 0.92 SMN1; SMN2 (0.46) NAAASMN1; SMN2HPGDALDH1A1CYP1A2
SCHEMBL16470982 0.90 SMN1; SMN2 (0.49) NAAASMN1; SMN2CYP1A2
SCHEMBL3142040 0.88 NAAA (0.38) NAAASMN1; SMN2GAAPPM1BPTPN1
SCHEMBL27675098 0.88 NAAA (0.38) NAAASMN1; SMN2GAAPPM1BPTPN1
SCHEMBL28992220 0.87 NAAA (0.41) NAAASMN1; SMN2PPM1BPTPN1PPP1CC
SCHEMBL7418656 0.87 NAAA (0.40) NAAA
Hydrochloric Acid SCHEMBL7418650 0.85 GNAO1 (0.41) NAAA
SCHEMBL13439387 0.85 NAAA (0.39) NAAASMN1; SMN2GAAPPM1BPTPN1

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
CN-105884607-A Preparation method of cyclopropylpropionic acid 上海合全药业股份有限公司 2016-08-24 CN claimed
CN-106207261-A Electrolyte and battery 松下知识产权经营株式会社 2016-12-07 CN disclosed
CN-105884607-A Preparation method of cyclopropylpropionic acid 上海合全药业股份有限公司 2016-08-24 CN disclosed
CN-105884607-A Preparation method of cyclopropylpropionic acid 上海合全药业股份有限公司 2016-08-24 CN disclosed