SCHEMBL6913672

SCHEMBL6913672

Cc1cccc2cccc(C(=O)O)c12.[In]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.62
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
MYC P01106 1/20 0.52
KMT2A Q03164 4/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
AKR1B10 O60218 1/20 0.46
TRPA1 O75762 1/20 0.46
ABCB11 O95342 1/20 0.46
DHFR P00374 1/20 0.46
LMNA P02545 1/20 0.46
MPO P05164 1/20 0.46

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
SCHEMBL3388726 0.98 HSD17B10 (0.64) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6913668 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6913795 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
Hydrochloric Acid SCHEMBL11729427 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6913528 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6908489 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6912749 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6913525 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6917047 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC
SCHEMBL6912747 0.96 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EHPGDMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed