SCHEMBL28114734

SCHEMBL28114734

CC(C)COC(=O)C(c1ccccc1)C(C(=O)OCC(C)C)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
CYP2D6 P10635 3/20 0.48
CHRM2 P08172 3/20 0.47
CHRM4 P08173 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRM5 P08912 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
P2RX4 Q99571 1/20 0.45
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41

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
SCHEMBL11650568 0.85 ALDH1A1 (0.56) KMT2AALDH1A1TSHRCYP2D6HPGD
SCHEMBL2296619 0.85 ALDH1A1 (0.56) KMT2AALDH1A1TSHRCYP2D6HPGD
SCHEMBL17965748 0.85 ALDH1A1 (0.61) KMT2AALDH1A1TSHRCYP2D6CHRM2
SCHEMBL29249710 0.83 ACHE (0.47) KMT2AALDH1A1TSHRHPGDP2RX4
SCHEMBL20799232 0.83 ALDH1A1 (0.55) KMT2AALDH1A1TSHRCYP2D6CHRM2
SCHEMBL28163280 0.83 ALDH1A1 (0.55) KMT2AALDH1A1TSHRCYP2D6CHRM2
SCHEMBL28163281 0.83 ALDH1A1 (0.55) KMT2AALDH1A1TSHRCYP2D6CHRM2
SCHEMBL16732016 0.81 ALDH1A1 (0.53) KMT2AALDH1A1TSHRCYP2D6CHRM2
SCHEMBL31059197 0.81 ALDH1A1 (0.53) KMT2AALDH1A1TSHRCYP2D6HPGD
SCHEMBL14198943 0.81 ALDH1A1 (0.53) KMT2AALDH1A1TSHRCYP2D6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980706-B Thermosetting resin composition and applications thereof 广东生益科技股份有限公司 2017-01-11 CN disclosed