SCHEMBL16163308

SCHEMBL16163308

CC(C)(C)C(Cl)[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BCHE P06276 2/20 0.43
BACE1 P56817 3/20 0.42
KLK5 Q9Y337 2/20 0.41
CTRB1 P17538 3/20 0.40
CA2 P00918 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
SCHEMBL6942559 0.83 NPC1 (0.45) NPC1RAB9ABACE1CTRB1
SCHEMBL6945454 0.83 NPC1 (0.45) NPC1RAB9ABACE1CTRB1
SCHEMBL6942561 0.83 NPC1 (0.45) NPC1RAB9ABACE1CTRB1
SCHEMBL6942553 0.83 NPC1 (0.45) NPC1RAB9ABACE1CTRB1
SCHEMBL5377725 0.82 BACE1 (0.41) BACE1
SCHEMBL2078615 0.78 CYP3A4 (0.45) RAB9A
SCHEMBL4687328 0.78 NPC1 (0.50) NPC1RAB9ABCHECTRB1
SCHEMBL272596 0.78 NPC1 (0.46) NPC1RAB9ABCHECTRB1
SCHEMBL609657 0.78 BCHE (0.41) NPC1RAB9ABCHEBACE1KLK5
SCHEMBL7428593 0.77 BCHE (0.40) NPC1RAB9ABCHEBACE1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP claimed
US-9029112-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2015-05-12 US claimed
US-20140308732-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2014-10-16 US claimed
US-9296992-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-03-29 US disclosed
US-20150240217-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-08-27 US disclosed
US-9029112-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2015-05-12 US disclosed
US-20140308732-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2014-10-16 US disclosed