SCHEMBL7274775

SCHEMBL7274775

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)CCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.46
CTSD P07339 1/20 0.46
CTSE P14091 1/20 0.46
CYP1A2 P05177 1/20 0.43
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 1/20 0.40
BACE1 P56817 1/20 0.40
KLK5 Q9Y337 1/20 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
SCHEMBL7274657 0.82 REN (0.60) RENCTSDCTSE
SCHEMBL10768949 0.81 CYP1A2 (0.51) RENCTSDCTSECYP1A2ALDH1A1
SCHEMBL10768958 0.79 REN (0.51) RENKLK5
SCHEMBL7285400 0.79 CA1 (0.44) RENCTSDCTSEPSEN1PSEN2
SCHEMBL7289460 0.79 CA1 (0.44) RENCTSDCTSEPSEN1PSEN2
SCHEMBL9725793 0.79 CA1 (0.44) RENCTSDCTSEPSEN1PSEN2
SCHEMBL9725761 0.79 CA1 (0.44) RENCTSDCTSEPSEN1PSEN2
SCHEMBL7289457 0.79 CA1 (0.44) RENCTSDCTSEPSEN1PSEN2
SCHEMBL28583822 0.78 PTPRA (0.46) RENCTSDCTSECYP1A2APP
SCHEMBL28583820 0.78 PTPRA (0.46) RENCTSDCTSECYP1A2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360791-A Renin-inhibiting aminodiol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0370454-B1 Renin-inhibiting amino diol derivatives HOECHST AG (DE) 1994-04-20 EP disclosed
EP-0370454-A2 Renin-inhibiting amino diol derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed