SCHEMBL7750030

SCHEMBL7750030

CCCCC[C@H](F)[C@@H](F)COc1ccc(-c2ncc(CCCCCCCC3CCCC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.43
RAB9A P51151 7/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 5/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
S1PR1 P21453 3/20 0.35
S1PR4 O95977 2/20 0.34

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
SCHEMBL7751306 1.00 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7751301 1.00 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7750026 1.00 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7745518 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7751365 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7751372 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7745523 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7751388 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7751394 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7751441 0.91 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2KDM4E

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
EP-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
US-5759443-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-02 US disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed