SCHEMBL11864950

SCHEMBL11864950

O=C(O)C(CC1CCCO1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 5/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL5674453 0.84 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1711900 0.84 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1711904 0.84 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1711899 0.84 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL7888124 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL7888410 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1711635 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL7366756 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1716534 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL7880579 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101381350-B Synthetic method of diethyl naphthylmethyl-tetrahydrofurfurylmalonate ZHEJIANG TAIZHOU QINGQUAN MEDICAL & CHEMICAL CO LTD 2011-06-29 CN claimed
CN-101381350-A Synthetic method of diethyl naphthylmethyl-tetrahydrofurfurylmalonate ZHEJIANG TAIZHOU QINGQUAN MEDI (CN) 2009-03-11 CN claimed
CN-101381350-B Synthetic method of diethyl naphthylmethyl-tetrahydrofurfurylmalonate ZHEJIANG TAIZHOU QINGQUAN MEDICAL & CHEMICAL CO LTD 2011-06-29 CN disclosed
CN-101381350-A Synthetic method of diethyl naphthylmethyl-tetrahydrofurfurylmalonate ZHEJIANG TAIZHOU QINGQUAN MEDI (CN) 2009-03-11 CN disclosed
US-3973033-A Compositions and methods for producing a vasodilatory effect with a naphthyl tetrahydrofurfuryl amino-ester LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1976-08-03 US disclosed