SCHEMBL6909401

SCHEMBL6909401

CCc1ccc(C(=O)O)cc1.[InH3]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.95
RXRA P19793 2/20 0.67
RXRB P28702 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PLK1 P53350 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
BCL2 P10415 1/20 0.56
RARB P10826 6/20 0.55
TAS2R14 Q9NYV8 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
THRB P10828 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
SCHEMBL1330795 0.98 ALDH1A1 (1.00) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL19901 0.98 ALDH1A1 (1.00) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL1330335 0.98 ALDH1A1 (1.00) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL6913296 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL8972050 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL6909050 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL6915465 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL2590166 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL22042012 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1
SCHEMBL6911296 0.95 ALDH1A1 (0.95) ALDH1A1RXRARXRBSMN1; SMN2NPC1

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