SCHEMBL4192944

SCHEMBL4192944

COC(=O)C(C)(C)C(C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.48
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
KCNN4 O15554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MDM2 Q00987 1/20 0.43
CTSS P25774 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL16691534 1.00 CTRB1 (0.51) CTRB1NPC1RAB9AATMCYP3A4
SCHEMBL1970422 0.84 CTRB1 (0.49) CTRB1NPC1RAB9AATMKCNN4
SCHEMBL3273344 0.82 NPC1 (0.50) CTRB1NPC1RAB9AMDM2LMNA
SCHEMBL11730429 0.82 CTRB1 (0.50) CTRB1NPC1RAB9AATMMAPK1
SCHEMBL10441699 0.80 CTRB1 (0.46) CTRB1NPC1RAB9AATMALDH1A1
SCHEMBL29826678 0.80 MMP1 (0.54) NPC1RAB9ATSHR
SCHEMBL11729202 0.78 CTRB1 (0.53) CTRB1NPC1RAB9AATMKCNN4
SCHEMBL12493766 0.78 MAPT (0.46) CTRB1RAB9AATMKCNN4ALDH1A1
SCHEMBL19074596 0.75 APAF1 (0.56) NPC1RAB9ACYP3A4ALDH1A1CYP2C19
SCHEMBL16414222 0.74 CTRB1 (0.52) CTRB1KCNN4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105385344-A Measuring tool calibrating instrument CHANGSHU YUMING ENTPR MAN CONSULTING CO LTD 2016-03-09 CN disclosed
US-20090010958-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2009-01-08 US disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed
WO-2005046632-A9 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD (IL) 2005-09-22 WO disclosed