SCHEMBL28374530

SCHEMBL28374530

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.63
ESR1 P03372 5/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR1H2 P55055 1/20 0.57
RNASEL Q05823 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 2/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ESR2 Q92731 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50

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
SCHEMBL10580079 1.00 HSD17B3 (0.63) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL1615178 1.00 HSD17B3 (0.63) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL11850415 1.00 HSD17B3 (0.63) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL31522758 1.00 HSD17B3 (0.63) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL27486218 0.98 HSD17B3 (0.61) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL22655275 0.93 HSD17B3 (0.51) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL9016067 0.93 HSD17B3 (0.51) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL8340255 0.92 PSMB11 (0.56) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL27417219 0.92 PSMB11 (0.56) HSD17B3ESR1TSHRLMNACYP1A2
SCHEMBL8445562 0.87 TP53 (0.55) TSHRALDH1A1MAPT

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-107428924-B Injection molded body for mounting on vehicle, and automotive light guide, automotive interior panel, and automotive lamp lens using same 三菱瓦斯化学株式会社 2020-03-27 CN disclosed