SCHEMBL23667705

SCHEMBL23667705

COCc1ccc(CO)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
IDO1 P14902 4/20 0.40
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.36
SLC5A2 P31639 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL8954831 0.86 IDO1 (0.44) TSHRIDO1TP53LMNASMN1; SMN2
SCHEMBL23667706 0.81 IDO1 (0.40) TSHRIDO1TP53LMNASMN1; SMN2
SCHEMBL522987 0.80 RECQL (0.43) TSHRIDO1TP53SMN1; SMN2HTT
SCHEMBL27666267 0.80 CYP3A4 (0.53) TSHRTP53SMN1; SMN2HTTNPC1
SCHEMBL4460363 0.79 TAAR1 (0.47) IDO1SMN1; SMN2KDM4E
SCHEMBL8772771 0.79 TRPA1 (0.43) TSHRIDO1LMNASMN1; SMN2SLC5A2
SCHEMBL791989 0.78 IDO1 (0.63) TSHRIDO1SMN1; SMN2NPC1RAB9A
SCHEMBL16188937 0.77 RXRA (0.58) RXRARXRBRXRGNPSR1
SCHEMBL4371091 0.77 SHBG (0.41) TP53LMNASLC5A2HPGDMAPT
SCHEMBL17045042 0.77 CA2 (0.53) TSHRIDO1HSD17B10

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-2021143792-A1 PIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-07-22 WO disclosed