SCHEMBL28292021

SCHEMBL28292021

CCCCCCCCCCCC(=O)c1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.71
STS P08842 4/20 0.60
MAPT P10636 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTR7 P34969 1/20 0.58
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4D Q08499 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL27744117 1.00 HSD17B3 (0.71) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL7070512 1.00 HSD17B3 (0.71) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL11086667 1.00 HSD17B3 (0.71) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL8762112 1.00 HSD17B3 (0.71) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL27807690 1.00 HSD17B3 (0.71) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL3792565 0.98 HSD17B3 (0.70) HSD17B3STSMAPTNPC1RAB9A
Ethylene SCHEMBL27477610 0.96 HSD17B3 (0.67) HSD17B3STSMAPTNPC1RAB9A
Water SCHEMBL28015719 0.96 HSD17B3 (0.68) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL11506938 0.92 HSD17B3 (0.69) HSD17B3STSMAPTNPC1RAB9A
SCHEMBL1875392 0.91 HSD17B3 (0.59) HSD17B3STSMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109722273-B Produced liquid treating agent and application thereof 中国石油天然气股份有限公司 2020-11-03 CN claimed
CN-109722273-B Produced liquid treating agent and application thereof 中国石油天然气股份有限公司 2020-11-03 CN disclosed
CN-109722273-B Produced liquid treating agent and application thereof 中国石油天然气股份有限公司 2020-11-03 CN disclosed
CN-109722273-A Produced liquid treating agent and application thereof 中国石油天然气股份有限公司 2019-05-07 CN disclosed