SCHEMBL8982175

SCHEMBL8982175

CC(=O)Oc1ccc2c(c1)CC(C(C)C(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OPRD1 P41143 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ACHE P22303 3/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
OPRK1 P41145 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11288185 0.81 ACHE (0.41) OPRM1KDM4EACHECA2CA5A
SCHEMBL10585452 0.77 ACHE (0.56) OPRM1OPRD1KDM4EACHECA2
Hydrochloric Acid SCHEMBL4784885 0.76 ACHE (0.55) OPRM1OPRD1KDM4EACHECA2
SCHEMBL11345481 0.76 CA2 (0.47) OPRM1OPRD1KDM4EACHECA2
SCHEMBL8728410 0.75 FFAR1 (0.44) OPRM1OPRD1KDM4EACHECA2
SCHEMBL3896033 0.75 SMN1; SMN2 (0.55) KDM4ECA2CA5AMAPTALDH1A1
SCHEMBL9261533 0.75 ALOX15 (0.56) KDM4ECA2CA5AMAPTSMN1; SMN2
SCHEMBL14900911 0.74 GRM7 (0.47) MAPTGAA
SCHEMBL10137660 0.74 GRM7 (0.47) MAPTGAA
SCHEMBL7303838 0.74 GRM7 (0.47) MAPTGAA

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