SCHEMBL21771302

SCHEMBL21771302

CC(=O)c1cc2ccc(OCCNI)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 11/20 0.45
MAOA P21397 9/20 0.45
CYP2D6 P10635 1/20 0.44
CA12 O43570 5/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
CA4 P22748 3/20 0.44
CA5A P35218 2/20 0.44
CA9 Q16790 3/20 0.44
CA6 P23280 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
SLC16A3 O15427 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18551620 0.88 LMNA (0.49) HPGDTSHRSMN1; SMN2MAOBMAOA
SCHEMBL20233723 0.85 ADRB2 (0.48) HPGDTSHRSMN1; SMN2MAOBMAOA
SCHEMBL21950993 0.82 CA9 (0.59) HPGDSMN1; SMN2MAOBCYP2D6CA12
SCHEMBL18551617 0.79 HPGD (0.46) HPGDTSHRSMN1; SMN2MAOBCA4
SCHEMBL15623151 0.79 LMNA (0.51) HPGDTSHRSMN1; SMN2MAOBCA4
SCHEMBL18611776 0.78 KDM4E (0.50) HPGDTSHRSMN1; SMN2MAOBMAOA
SCHEMBL1391034 0.77 SLC16A3 (0.65) MAOBMAOACA12CA1CA2
SCHEMBL1287537 0.77 ALDH1A1 (0.66) HPGDTSHRSMN1; SMN2MAOBCYP2D6
SCHEMBL20334181 0.76 TAS1R3 (0.48) HPGDTSHRSMN1; SMN2CA4LMNA
SCHEMBL3825039 0.76 CA2 (0.65) HPGDSMN1; SMN2MAOBCYP2D6CA12

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
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed