SCHEMBL9837204

SCHEMBL9837204

COC(=O)C1CCc2cc(C=O)sc2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDK1 Q15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LIMK1 P53667 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL6987113 0.87 PDK1 (0.49) TBXAS1KMT2AALDH1A1PDK1MAPT
SCHEMBL9871883 0.84 TBXAS1 (0.51) TBXAS1ALDH1A1PDK1NPC1RAB9A
SCHEMBL7613074 0.72 KMT2A (0.56) KMT2ABRD4ALDH1A1MAPT
SCHEMBL9834133 0.70 TBXAS1 (0.78) TBXAS1ALDH1A1NPC1
SCHEMBL10439319 0.69 KDM4E (0.45) KMT2AALDH1A1CYP1A2
SCHEMBL9834147 0.69 TBXAS1 (0.33) TBXAS1
SCHEMBL9835048 0.69 ALDH1A1 (0.32) KMT2AALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL4432302 0.68 MTNR1A (0.53) KMT2AALDH1A1
SCHEMBL29882799 0.68 MTNR1A (0.53) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10812638 0.68 KMT2A (0.38) KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed