SCHEMBL21616613

SCHEMBL21616613

COC(=O)[C@@H]1CCCCN1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.49
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.38
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL28937243 1.00 FKBP1A (0.49) FKBP1APOLBSMN1; SMN2ALDH1A1TP53
SCHEMBL4109077 0.94 POLB (0.49) FKBP1APOLBSMN1; SMN2TP53MMP2
SCHEMBL200913 0.94 POLB (0.49) FKBP1APOLBSMN1; SMN2TP53MMP2
SCHEMBL389987 0.94 POLB (0.49) FKBP1APOLBSMN1; SMN2TP53MMP2
Hydrochloric Acid SCHEMBL5159954 0.92 POLB (0.47) FKBP1APOLBSMN1; SMN2TP53MMP2
Hydrochloric Acid SCHEMBL3055388 0.92 POLB (0.47) FKBP1APOLBSMN1; SMN2TP53MMP2
Hydrochloric Acid SCHEMBL2337448 0.92 POLB (0.47) FKBP1APOLBSMN1; SMN2TP53MMP2
SCHEMBL2616299 0.80 FKBP1A (0.49) FKBP1APOLBSMN1; SMN2ALDH1A1
SCHEMBL12886363 0.80 FKBP1A (0.49) FKBP1APOLBSMN1; SMN2ALDH1A1
SCHEMBL15316989 0.80 FKBP1A (0.49) FKBP1APOLBSMN1; SMN2ALDH1A1

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
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 WO disclosed