SCHEMBL11410046

SCHEMBL11410046

C=Cc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
ALOX15 P16050 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATP2A2 P16615 1/20 0.48
ATP2A3 Q93084 1/20 0.48
TRPA1 O75762 1/20 0.47
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
TYR P14679 2/20 0.41
HTT P42858 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL30920089 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL666188 0.84 ALDH1A1 (0.55) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL15496927 0.80 TRPA1 (0.41) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL26793683 0.80 TRPA1 (0.47) ALDH1A1MAPTKDM4ETRPA1PTGS1
SCHEMBL3431682 0.80 PTGS2 (0.57) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL1204171 0.78 TP53 (0.42) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL1473799 0.76 PTGS1 (0.40) ALDH1A1MAPTTRPA1PTGS1PTGS2
SCHEMBL1984944 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTTRPA1PTGS1
SCHEMBL24209264 0.76 KDM4E (0.61) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL15499232 0.76 TRPA1 (0.40) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182803-A WITH REACTIVE PHENOLIC GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-01-08 US claimed
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US claimed
US-3993714-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US claimed
CN-114950551-B Monophosphite polymer catalyst for olefin hydroformylation, preparation method and application thereof 中国海洋石油集团有限公司 2024-05-07 CN disclosed
CN-114950551-A Monophosphite polymer catalyst for olefin hydroformylation and preparation method and application thereof 中国海洋石油集团有限公司 2022-08-30 CN disclosed
US-4182803-A WITH REACTIVE PHENOLIC GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-01-08 US disclosed
US-4039630-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-3993714-A Elastomer SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US disclosed