SCHEMBL21696554

SCHEMBL21696554

O=C(OCc1ccc(-c2ccccc2)cc1)C1CC[C@@H](O)CN1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.46
CTSC P53634 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ENPP2 Q13822 1/20 0.41
BACE1 P56817 1/20 0.41
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL994204 0.92 TSHR (0.53) TSHRNPC1RAB9ABACE1ALDH1A1
Hydrochloric Acid SCHEMBL27533472 0.91 TSHR (0.55) TSHRNPC1RAB9ABACE1ALDH1A1
SCHEMBL16555730 0.82 TSHR (0.54) NAAAEPHX1TSHRCTSCNPC1
SCHEMBL993722 0.80 TDP1 (0.45) RAB9ACYP3A4KDM4EALDH1A1KMT2A
SCHEMBL993720 0.80 TDP1 (0.45) RAB9ACYP3A4KDM4EALDH1A1KMT2A
SCHEMBL993723 0.80 TDP1 (0.45) RAB9ACYP3A4KDM4EALDH1A1KMT2A
SCHEMBL2513942 0.80 TDP1 (0.45) RAB9ACYP3A4KDM4EALDH1A1KMT2A
SCHEMBL23485377 0.80 TSHR (0.51) TSHRCTSCNPC1RAB9ABACE1
SCHEMBL10137745 0.80 TSHR (0.51) TSHRCTSCNPC1RAB9ABACE1
SCHEMBL9636938 0.80 TSHR (0.51) TSHRCTSCNPC1RAB9ABACE1

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 EP disclosed