SCHEMBL27710352

SCHEMBL27710352

COC1(C)Cc2ccc(C)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.34
METAP1 P53582 2/20 0.34
APP P05067 1/20 0.33
HTR5A P47898 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
F2 P00734 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL29232812 0.79 METAP1 (0.35) ADRA2ACYP3A4ALDH1A1ACHEMETAP1
SCHEMBL11530207 0.79 ADRA2A (0.41) ADRA2ACYP3A4ALDH1A1ACHEMETAP1
SCHEMBL31012312 0.78 KDM4E (0.38) ADRA2ACYP3A4METAP1ALOX15TDP1
SCHEMBL28665554 0.78 KDM4E (0.38) ADRA2ACYP3A4METAP1ALOX15TDP1
SCHEMBL28387398 0.77 NOTUM (0.37) ADRA2ACYP3A4ALDH1A1METAP1SMN1; SMN2
SCHEMBL20005179 0.76 HTR2A (0.34) SIGMAR1
SCHEMBL20584482 0.76 ADRA2A (0.35) ADRA2ACYP3A4ALDH1A1ACHEMETAP1
SCHEMBL30492696 0.76 ADRA2A (0.35) ADRA2ACYP3A4ALDH1A1ACHEMETAP1
SCHEMBL30441740 0.76 ADRA2A (0.35) ADRA2ACYP3A4ALDH1A1ACHEMETAP1
SCHEMBL22271488 0.75 ADRA2A (0.39) ADRA2ACYP3A4ALDH1A1METAP1HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117797295-A Indane derivatives for malodor counteracting 弗门尼舍有限公司 2024-04-02 CN claimed
CN-105308162-A Compounds for a controlled release of active molecules FIRMENICH & CIE 2016-02-03 CN claimed
CN-113873884-B Arthropod control composition 弗门尼舍有限公司 2024-06-14 CN disclosed
CN-117797295-A Indane derivatives for malodor counteracting 弗门尼舍有限公司 2024-04-02 CN disclosed
CN-113873884-A Arthropod control composition 弗门尼舍有限公司 2021-12-31 CN disclosed
CN-107847624-A Indane derivatives for malodor counteraction 弗门尼舍有限公司 2018-03-27 CN disclosed
CN-105308162-A Compounds for a controlled release of active molecules FIRMENICH & CIE 2016-02-03 CN disclosed
CN-104837973-A Fragrance materials PROCTER & GAMBLE 2015-08-12 CN disclosed
CN-104053760-A CYCLODODECADIENOL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE 2014-09-17 CN disclosed
CN-103998588-A Novel aldehydes as perfuming ingredients FIRMENICH & CIE 2014-08-20 CN disclosed
CN-103874755-A Floral perfuming composition for use as LILILIAL substitute FIRMENICH & CIE 2014-06-18 CN disclosed
CN-102369179-B Carboxylic derivatives as violet and/or woody odorant FIRMENICH & CIE 2014-01-29 CN disclosed
CN-101861296-B Patchoulol odorant FIRMENICH & CIE 2013-05-01 CN disclosed
CN-101448771-B Patchouli odorant FIRMENICH & CIE 2012-03-21 CN disclosed
CN-102369179-A Carboxylic derivatives as violet and/or woody odorant FIRMENICH & CIE 2012-03-07 CN disclosed
CN-101023156-B Perfuming ingredients with saffron odor FIRMENICH & CIE 2012-01-25 CN disclosed
CN-101861296-A Patchoulol odorant FIRMENICH & CIE 2010-10-13 CN disclosed
CN-101448771-A Patchouli odorant FIRMENICH & CIE (CH) 2009-06-03 CN disclosed
CN-101023156-A Perfuming ingredients with saffron odor FIRMENICH & CIE (CH) 2007-08-22 CN disclosed