SCHEMBL8982173

SCHEMBL8982173

CCC(Oc1ccc2c(c1)CC(CNC(=O)OC(C)(C)C)C2)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ACACB O00763 10/20 0.45
ACACA Q13085 6/20 0.40
DRD2 P14416 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
NAMPT P43490 1/20 0.37
MTNR1A P48039 1/20 0.36
SYK P43405 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7283668 0.83 ACACB (0.49) ACACBACACADRD2CKS1BSKP1
SCHEMBL8757882 0.81 ACACB (0.47) SMN1; SMN2ACACBACACADRD2CKS1B
SCHEMBL8728457 0.78 ACACB (0.50) ACACBACACA
SCHEMBL8982158 0.78 TBXA2R (0.57) SMN1; SMN2
SCHEMBL8882262 0.78 ACACB (0.48) ACACBACACADRD2CKS1BSKP1
SCHEMBL8733581 0.78 ACACB (0.47) ACACBACACADRD2CKS1BSKP1
SCHEMBL8729260 0.77 POLB (0.46) SMN1; SMN2ACACB
SCHEMBL22534289 0.77 ACACB (0.47) SMN1; SMN2ACACBACACADRD2NAMPT
SCHEMBL8879555 0.76 TBXA2R (0.46) ACACBACACADRD2NAMPT
SCHEMBL9688045 0.73 ALOX15 (0.49) ACACBACACADRD2CKS1BSKP1

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-0589037-B1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-05-29 EP disclosed
US-5409956-A A sulfonylaminoalkylindan carboxylic acid or ester for treating thrombosis, vasospasm or asthma ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0589037-A1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-03-30 EP disclosed