SCHEMBL7966308

SCHEMBL7966308

CCCc1ccc(-c2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MITF O75030 1/20 0.70
KLF5 Q13887 1/20 0.70
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
HCAR2 Q8TDS4 2/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 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
SCHEMBL7966311 1.00 KDM4E (0.70) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL1206716 0.95 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL1206715 0.95 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2MITF
Hydrochloric Acid SCHEMBL11768179 0.93 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL7336575 0.89 ALDH1A1 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7336570 0.89 ALDH1A1 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL17321122 0.89 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL17311318 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL17311317 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2MITF
SCHEMBL7969685 0.88 ALDH1A1 (0.70) KDM4EALDH1A1HPGDSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277502-B1 ORGANOSILICON POLYMERS; LIQUID CRYSALS ROLIC AG (CH) 2001-08-21 US disclosed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed