SCHEMBL28517558

SCHEMBL28517558

NC(=O)OC1CCCCC1(Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADAM17 P78536 3/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD11B1 P28845 1/20 0.33
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.33
KCNA3 P22001 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL4817586 0.76 ADAM17 (0.43) ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10
SCHEMBL7447229 0.73 KDM4E (0.40) ALDH1A1SMN1; SMN2ADAM17KDM4EEPHX1
SCHEMBL4817042 0.72 ADAM17 (0.45) ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10
SCHEMBL4807371 0.71 KDM4E (0.46) ALDH1A1SMN1; SMN2ADAM17KDM4ELMNA
SCHEMBL4811142 0.70 OPRK1 (0.40) SMN1; SMN2ADAM17LMNA
SCHEMBL4808773 0.70 ADAM17 (0.41) ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10
SCHEMBL4808768 0.70 ADAM17 (0.41) ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10
SCHEMBL4809852 0.69 TRPM8 (0.38) ADRB2ALDH1A1TSHRLMNA
SCHEMBL4808147 0.68 ADAM17 (0.47) ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10
SCHEMBL30159090 0.68 KCNH2 (0.35) ALDH1A1ALOX15TSHRSMN1; SMN2HSD17B10

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-105392845-B Photocurable composition 思美定株式会社 2020-10-20 CN disclosed