SCHEMBL28411368

SCHEMBL28411368

CCCCCCCCc1c(C(C)(C)C)ccc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43
HSPE1 P61604 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
SCHEMBL28366270 0.87 TYR (0.55) TYRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL28615678 0.86 TYR (0.54) TYRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11660171 0.86 TYR (0.49) TYRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8891283 0.86 TYR (0.49) TYRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11202288 0.86 TYR (0.49) TYRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11140066 0.84 ALOX5 (0.50) TYRALDH1A1TP53CYP3A4HIF1A
SCHEMBL26109081 0.83 TYR (0.47) TYRKDM4EALDH1A1HSD17B10ESR1
SCHEMBL8585742 0.82 HPGD (0.43) TYRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL30438452 0.81 GABRA1 (0.47) TYRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL8989595 0.81 GABRA1 (0.47) TYRKDM4EALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107189197-B Comprehensive conveying pipe for high-strength insulating flame-retardant pipeline gallery 上海中塑管业有限公司 2020-05-12 CN claimed