SCHEMBL28854293

SCHEMBL28854293

CC(C)(C)OOC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
BTK Q06187 1/20 0.37
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL317158 0.92 TSHR (0.36) KMT2ATSHRHSD17B10ALDH1A1TDP1
SCHEMBL383633 0.92 TSHR (0.36) KMT2ATSHRHSD17B10ALDH1A1TDP1
SCHEMBL3635120 0.89 LMNA (0.35) LMNABTKPLGPLATKMT2A
SCHEMBL23420382 0.85 LMNA (0.43) LMNABTKPLGPLATKMT2A
SCHEMBL382048 0.83 SMN1; SMN2 (0.41) BTKKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL382706 0.83 ADRB2 (0.40) BTKKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL382062 0.82 CES2 (0.41) KMT2ATSHRHSD17B10ALDH1A1TDP1
SCHEMBL22775616 0.82 CES2 (0.41) KMT2ATSHRHSD17B10ALDH1A1TDP1
SCHEMBL1072603 0.79 HRH3 (0.46) LMNABTKPLGPLATKMT2A
SCHEMBL194560 0.79 ALDH1A1 (0.34) TSHRHSD17B10ALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107431210-B Anode for lithium battery 日产自动车株式会社 2019-04-16 CN disclosed
CN-107431210-A Anode for lithium battery 日产自动车株式会社 2017-12-01 CN disclosed