SCHEMBL28494201

SCHEMBL28494201

Cc1ccc(C(C)(C)C)c(-c2ccccc2O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
TSHR P16473 1/20 0.53
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 4/20 0.41
ALOX15 P16050 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TYR P14679 2/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL28360581 0.86 ALDH1A1 (0.53) ALDH1A1TDP1TSHRMAOAMAOB
SCHEMBL28466720 0.84 ALDH1A1 (0.55) ALDH1A1TDP1TSHRMAOAMAOB
SCHEMBL1598485 0.83 TDP1 (0.46) ALDH1A1TDP1TSHRMAOAMAOB
SCHEMBL30341592 0.83 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTALOX15
SCHEMBL2497617 0.81 ALDH1A1 (0.67) ALDH1A1TDP1TSHRMAPTALOX15
SCHEMBL31351790 0.81 TRPA1 (0.52) ALDH1A1TDP1MAOAMAOBMAPT
SCHEMBL3484810 0.81 TRPA1 (0.52) ALDH1A1TDP1MAOAMAOBMAPT
Butylated Hydroxytoluene SCHEMBL9386302 0.80 CA2 (0.67) ALDH1A1TDP1TSHRMAPTALOX15
SCHEMBL10385111 0.77 HPGD (0.51) ALDH1A1TDP1TSHRMAOAMAOB
SCHEMBL29363320 0.77 HPGD (0.51) ALDH1A1TDP1TSHRMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114448-B Lubricating composition with alkylated naphthylamines 路博润公司 2022-03-04 CN disclosed
CN-113403035-A Heat transfer compositions, methods, and systems 霍尼韦尔国际公司 2021-09-17 CN disclosed
CN-107849307-B Additive mixture 巴斯夫欧洲公司 2020-12-01 CN disclosed