SCHEMBL2172184

SCHEMBL2172184

COc1ccc(CCC(=O)Oc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MAPT P10636 5/20 0.59
F2RL1 P55085 1/20 0.58
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
FFAR1 O14842 2/20 0.55
PTPN1 P18031 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL28271408 0.95 KMT2A (0.72) KMT2ANPC1RAB9AMAPTF2RL1
SCHEMBL14877832 0.87 CALM1 (0.62) KMT2ANPC1RAB9AMAPTF2RL1
SCHEMBL11246900 0.87 CALM1 (0.62) KMT2ANPC1RAB9AMAPTF2RL1
SCHEMBL1050111 0.86 KMT2A (0.73) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL17951284 0.86 KMT2A (0.78) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL11424136 0.86 F2RL1 (0.57) KMT2ANPC1RAB9AMAPTF2RL1
Anisole SCHEMBL31387002 0.85 FFAR1 (0.74) NPC1RAB9AF2RL1PLAAT3PLAAT5
SCHEMBL10882168 0.84 KMT2A (0.71) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL27537713 0.84 KMT2A (0.71) KMT2ANPC1RAB9AMAPTALDH1A1
Hydrogen Sulfide SCHEMBL28066373 0.84 KMT2A (0.71) KMT2ANPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192424-A1 VOLATILE HD AC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS CROSS-REFERENCE TO RELATED APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 WO claimed
CN-103319521-A Cyclic siloxane compositions for the release of active ingredients GEN ELECTRIC 2013-09-25 CN claimed
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN claimed
WO-2023192424-A1 VOLATILE HD AC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS CROSS-REFERENCE TO RELATED APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 WO disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-111108090-A Fragrance precursor 高砂香料工业株式会社 2020-05-05 CN disclosed
EP-2346535-A1 MALODOR CONTROL SYSTEM The Procter & Gamble Company (US) 2011-07-27 EP disclosed
WO-2010053891-A1 MALODOR CONTROL SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO disclosed
US-20100111889-A1 Malodor Control System PROCTER & GAMBLE COMPANY, THE 2010-05-06 US disclosed
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed